4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

C149H208N34O15 — CID 158461509

IUPAC4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC[C@@H]1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCOCC3)nc2N1C1CCCC1.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](CC(C)C)C(=O)N2C
InChIInChI=1S/C32H45N7O4.C32H45N7O3.C30H43N7O3.C28H38N6O3.C27H37N7O2/c1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-7-5-6-8-23)35-25-10-9-21(19-28(25)43-24-13-17-42-18-14-24)30(40)34-22-11-15-37(2)16-12-22;1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-9-5-6-10-23)35-25-14-13-21(19-28(25)42-24-11-7-8-12-24)30(40)34-22-15-17-37(2)18-16-22;1-19(2)16-24-29(39)36(4)25-18-31-30(34-27(25)37(24)22-8-6-7-9-22)33-23-11-10-20(17-26(23)40-5)28(38)32-21-12-14-35(3)15-13-21;1-4-23-24(35)15-19-17-29-28(32-26(19)34(23)21-7-5-6-8-21)31-22-10-9-18(16-25(22)37-3)27(36)30-20-11-13-33(2)14-12-20;1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-10,19-20,22-24,26H,4-8,11-18H2,1-3H3,(H,34,40)(H,33,35,36);13-14,19-20,22-24,26H,4-12,15-18H2,1-3H3,(H,34,40)(H,33,35,36);10-11,17-19,21-22,24H,6-9,12-16H2,1-5H3,(H,32,38)(H,31,33,34);9-10,16-17,20-21,23H,4-8,11-15H2,1-3H3,(H,30,36)(H,29,31,32);9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t2*26-;24-;23-;22-/m11111/s1
InChIKeyHFFQJHHDWYDGLT-RNRFRVBASA-N
MW2715.53 g/mol
LogP20.42
Rot. Bonds37

About 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 158461509) has the molecular formula C149H208N34O15 and a molecular weight of 2715.53 g/mol. Its IUPAC name is 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID158461509
Molecular FormulaC149H208N34O15
Molecular Weight2715.53 g/mol
Exact Mass2713.66
IUPAC Name4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC[C@@H]1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCOCC3)nc2N1C1CCCC1.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](CC(C)C)C(=O)N2C
InChIInChI=1S/C32H45N7O4.C32H45N7O3.C30H43N7O3.C28H38N6O3.C27H37N7O2/c1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-7-5-6-8-23)35-25-10-9-21(19-28(25)43-24-13-17-42-18-14-24)30(40)34-22-11-15-37(2)16-12-22;1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-9-5-6-10-23)35-25-14-13-21(19-28(25)42-24-11-7-8-12-24)30(40)34-22-15-17-37(2)18-16-22;1-19(2)16-24-29(39)36(4)25-18-31-30(34-27(25)37(24)22-8-6-7-9-22)33-23-11-10-20(17-26(23)40-5)28(38)32-21-12-14-35(3)15-13-21;1-4-23-24(35)15-19-17-29-28(32-26(19)34(23)21-7-5-6-8-21)31-22-10-9-18(16-25(22)37-3)27(36)30-20-11-13-33(2)14-12-20;1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-10,19-20,22-24,26H,4-8,11-18H2,1-3H3,(H,34,40)(H,33,35,36);13-14,19-20,22-24,26H,4-12,15-18H2,1-3H3,(H,34,40)(H,33,35,36);10-11,17-19,21-22,24H,6-9,12-16H2,1-5H3,(H,32,38)(H,31,33,34);9-10,16-17,20-21,23H,4-8,11-15H2,1-3H3,(H,30,36)(H,29,31,32);9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t2*26-;24-;23-;22-/m11111/s1
InChIKeyHFFQJHHDWYDGLT-RNRFRVBASA-N
XLogP20.42
TPSA511.41 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds37
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002715.53
LogP ≤ 520.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[(7R)-8-cyclopentyl-7-ethyl-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 162239920
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxybenzamide
CID 59139944
cyclopentyl (2S)-2-[[2-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 59139956
cyclopentyl (2S)-2-[4-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]butanoylamino]-2-phenylacetate
CID 59139942
(2R)-2-amino-4-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]butanoic acid
CID 66670410
(7R)-8-tert-butyl-2-[[4-[2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]acetyl]-2-methoxyphenyl]methyl]-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-tert-butyl-7-ethyl-2-[[2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]methyl]-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;methane
CID 159435075
N-cyclohexyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzamide
CID 163503299
tert-butyl 4-[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoyl]amino]piperidine-1-carboxylate
CID 68970010
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-fluoro-N-(1-methylpiperidin-4-yl)benzamide
CID 122187524
lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide
CID 155697934
(2S)-2-cyclohexyl-2-[2-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]ethylcarbamoylamino]acetic acid
CID 59139946
(2S)-2-amino-4-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]-5,5-dimethylhexanoic acid
CID 66670507

Frequently Asked Questions

What is the IUPAC name of 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (CID 158461509) is 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is CC[C@@H]1C(=O)Cc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCOCC3)nc2N1C1CCCC1.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](CC(C)C)C(=O)N2C.
What is the InChIKey of 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is HFFQJHHDWYDGLT-RNRFRVBASA-N. The full InChI is InChI=1S/C32H45N7O4.C32H45N7O3.C30H43N7O3.C28H38N6O3.C27H37N7O2/c1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-7-5-6-8-23)35-25-10-9-21(19-28(25)43-24-13-17-42-18-14-24)30(40)34-22-11-15-37(2)16-12-22;1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-9-5-6-10-23)35-25-14-13-21(19-28(25)42-24-11-7-8-12-24)30(40)34-22-15-17-37(2)18-16-22;1-19(2)16-24-29(39)36(4)25-18-31-30(34-27(25)37(24)22-8-6-7-9-22)33-23-11-10-20(17-26(23)40-5)28(38)32-21-12-14-35(3)15-13-21;1-4-23-24(35)15-19-17-29-28(32-26(19)34(23)21-7-5-6-8-21)31-22-10-9-18(16-25(22)37-3)27(36)30-20-11-13-33(2)14-12-20;1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-10,19-20,22-24,26H,4-8,11-18H2,1-3H3,(H,34,40)(H,33,35,36);13-14,19-20,22-24,26H,4-12,15-18H2,1-3H3,(H,34,40)(H,33,35,36);10-11,17-19,21-22,24H,6-9,12-16H2,1-5H3,(H,32,38)(H,31,33,34);9-10,16-17,20-21,23H,4-8,11-15H2,1-3H3,(H,30,36)(H,29,31,32);9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t2*26-;24-;23-;22-/m11111/s1.
What are the key properties of 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 2715.53 g/mol, XLogP of 20.42, 37 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 158461509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).