(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

C132H193N25O13 — CID 159435075

IUPAC(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
SMILESC.C.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)(C)C.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCN(C)CC4)cc3OC)nc2N1C(C)(C)C.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
InChIInChI=1S/C37H54N6O3.C32H45N7O4.C32H45N7O3.C29H41N5O3.2CH4/c1-7-30-36(45)40(5)31-23-38-34(39-35(31)43(30)37(2,3)4)22-28-13-12-27(21-33(28)46-6)32(44)20-25-10-14-29(15-11-25)42-18-16-41(17-19-42)24-26-8-9-26;1-4-26-31(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;1-8-22-28(36)33(6)23-18-30-26(31-27(23)34(22)29(2,3)4)17-21-10-9-20(16-25(21)37-7)24(35)15-19-11-13-32(5)14-12-19;;/h12-13,21,23,25-26,29-30H,7-11,14-20,22,24H2,1-6H3;9-10,19-20,22-24,26H,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);9-10,16,18-19,22H,8,11-15,17H2,1-7H3;2*1H4/t25?,29?,30-;2*26-;22-;;/m1111../s1
InChIKeyLRMBIQHKQCBHCD-VTMHHQEASA-N
MW2338.16 g/mol
LogP20.19
Rot. Bonds33

About (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

(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 (PubChem CID 159435075) has the molecular formula C132H193N25O13 and a molecular weight of 2338.16 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159435075
Molecular FormulaC132H193N25O13
Molecular Weight2338.16 g/mol
Exact Mass2336.52
IUPAC Name(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
SMILESC.C.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)(C)C.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCN(C)CC4)cc3OC)nc2N1C(C)(C)C.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
InChIInChI=1S/C37H54N6O3.C32H45N7O4.C32H45N7O3.C29H41N5O3.2CH4/c1-7-30-36(45)40(5)31-23-38-34(39-35(31)43(30)37(2,3)4)22-28-13-12-27(21-33(28)46-6)32(44)20-25-10-14-29(15-11-25)42-18-16-41(17-19-42)24-26-8-9-26;1-4-26-31(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;1-8-22-28(36)33(6)23-18-30-26(31-27(23)34(22)29(2,3)4)17-21-10-9-20(16-25(21)37-7)24(35)15-19-11-13-32(5)14-12-19;;/h12-13,21,23,25-26,29-30H,7-11,14-20,22,24H2,1-6H3;9-10,19-20,22-24,26H,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);9-10,16,18-19,22H,8,11-15,17H2,1-7H3;2*1H4/t25?,29?,30-;2*26-;22-;;/m1111../s1
InChIKeyLRMBIQHKQCBHCD-VTMHHQEASA-N
XLogP20.19
TPSA376.07 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.16
LogP ≤ 520.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze (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 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]-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
4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxybenzamide
CID 11549087
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
4-[[(7R)-8-tert-butyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-iodopiperidin-4-yl)-3-methoxybenzamide
CID 145208012
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
(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
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
4-[(9-cyclopentyl-5-methyl-6-oxospiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclobutane]-2-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxybenzamide
CID 42640385
(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
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(3-piperidin-4-yloxycyclobutyl)benzamide
CID 171081717

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.C.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)(C)C.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCN(C)CC4)cc3OC)nc2N1C(C)(C)C.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.
What is the InChIKey of (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?
The InChIKey is LRMBIQHKQCBHCD-VTMHHQEASA-N. The full InChI is InChI=1S/C37H54N6O3.C32H45N7O4.C32H45N7O3.C29H41N5O3.2CH4/c1-7-30-36(45)40(5)31-23-38-34(39-35(31)43(30)37(2,3)4)22-28-13-12-27(21-33(28)46-6)32(44)20-25-10-14-29(15-11-25)42-18-16-41(17-19-42)24-26-8-9-26;1-4-26-31(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;1-8-22-28(36)33(6)23-18-30-26(31-27(23)34(22)29(2,3)4)17-21-10-9-20(16-25(21)37-7)24(35)15-19-11-13-32(5)14-12-19;;/h12-13,21,23,25-26,29-30H,7-11,14-20,22,24H2,1-6H3;9-10,19-20,22-24,26H,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);9-10,16,18-19,22H,8,11-15,17H2,1-7H3;2*1H4/t25?,29?,30-;2*26-;22-;;/m1111../s1.
What are the key properties of (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?
(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 has a molecular weight of 2338.16 g/mol, XLogP of 20.19, 33 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159435075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).