4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

C108H136F6N38O8 — CID 158733254

IUPAC4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(F)c1ncnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(F)c1nnnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)c1ncnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)c1nnnn1-2
InChIInChI=1S/C28H36FN9O2.C27H33F2N9O2.C27H35FN10O2.C26H32F2N10O2/c1-28(29)16-37(20-6-4-5-7-20)24-22(38-26(28)31-17-32-38)15-30-27(35-24)34-21-9-8-18(14-23(21)40-3)25(39)33-19-10-12-36(2)13-11-19;1-36-11-9-18(10-12-36)33-24(39)17-7-8-20(22(13-17)40-2)34-26-30-14-21-23(35-26)37(19-5-3-4-6-19)15-27(28,29)25-31-16-32-38(21)25;1-27(28)16-37(19-6-4-5-7-19)23-21(38-25(27)33-34-35-38)15-29-26(32-23)31-20-9-8-17(14-22(20)40-3)24(39)30-18-10-12-36(2)13-11-18;1-36-11-9-17(10-12-36)30-23(39)16-7-8-19(21(13-16)40-2)31-25-29-14-20-22(32-25)37(18-5-3-4-6-18)15-26(27,28)24-33-34-35-38(20)24/h8-9,14-15,17,19-20H,4-7,10-13,16H2,1-3H3,(H,33,39)(H,30,34,35);7-8,13-14,16,18-19H,3-6,9-12,15H2,1-2H3,(H,33,39)(H,30,34,35);8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,30,39)(H,29,31,32);7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,30,39)(H,29,31,32)
InChIKeyILIZDXNVWZKQII-UHFFFAOYSA-N
MW2208.52 g/mol
LogP12.93
Rot. Bonds24

About 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 158733254) has the molecular formula C108H136F6N38O8 and a molecular weight of 2208.52 g/mol. Its IUPAC name is 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID158733254
Molecular FormulaC108H136F6N38O8
Molecular Weight2208.52 g/mol
Exact Mass2207.13
IUPAC Name4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(F)c1ncnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(F)c1nnnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)c1ncnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)c1nnnn1-2
InChIInChI=1S/C28H36FN9O2.C27H33F2N9O2.C27H35FN10O2.C26H32F2N10O2/c1-28(29)16-37(20-6-4-5-7-20)24-22(38-26(28)31-17-32-38)15-30-27(35-24)34-21-9-8-18(14-23(21)40-3)25(39)33-19-10-12-36(2)13-11-19;1-36-11-9-18(10-12-36)33-24(39)17-7-8-20(22(13-17)40-2)34-26-30-14-21-23(35-26)37(19-5-3-4-6-19)15-27(28,29)25-31-16-32-38(21)25;1-27(28)16-37(19-6-4-5-7-19)23-21(38-25(27)33-34-35-38)15-29-26(32-23)31-20-9-8-17(14-22(20)40-3)24(39)30-18-10-12-36(2)13-11-18;1-36-11-9-17(10-12-36)30-23(39)16-7-8-19(21(13-16)40-2)31-25-29-14-20-22(32-25)37(18-5-3-4-6-18)15-26(27,28)24-33-34-35-38(20)24/h8-9,14-15,17,19-20H,4-7,10-13,16H2,1-3H3,(H,33,39)(H,30,34,35);7-8,13-14,16,18-19H,3-6,9-12,15H2,1-2H3,(H,33,39)(H,30,34,35);8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,30,39)(H,29,31,32);7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,30,39)(H,29,31,32)
InChIKeyILIZDXNVWZKQII-UHFFFAOYSA-N
XLogP12.93
TPSA479.10 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002208.52
LogP ≤ 512.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

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CID 174041610
CID 174041610
4-[[7,7-difluoro-5-methyl-9-[(3R)-3-methylcyclopentyl]-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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4-[[(7S)-9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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4-[(9-cyclopentyl-6-hydroxy-5,7-dimethyl-7,8-dihydro-6H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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4-[(9-cyclopentyl-5,7-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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CID 160998162

Frequently Asked Questions

What is the IUPAC name of 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (CID 158733254) is 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(F)c1ncnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(F)c1nnnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)c1ncnn1-2.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)c1nnnn1-2.
What is the InChIKey of 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is ILIZDXNVWZKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN9O2.C27H33F2N9O2.C27H35FN10O2.C26H32F2N10O2/c1-28(29)16-37(20-6-4-5-7-20)24-22(38-26(28)31-17-32-38)15-30-27(35-24)34-21-9-8-18(14-23(21)40-3)25(39)33-19-10-12-36(2)13-11-19;1-36-11-9-18(10-12-36)33-24(39)17-7-8-20(22(13-17)40-2)34-26-30-14-21-23(35-26)37(19-5-3-4-6-19)15-27(28,29)25-31-16-32-38(21)25;1-27(28)16-37(19-6-4-5-7-19)23-21(38-25(27)33-34-35-38)15-29-26(32-23)31-20-9-8-17(14-22(20)40-3)24(39)30-18-10-12-36(2)13-11-18;1-36-11-9-17(10-12-36)30-23(39)16-7-8-19(21(13-16)40-2)31-25-29-14-20-22(32-25)37(18-5-3-4-6-18)15-26(27,28)24-33-34-35-38(20)24/h8-9,14-15,17,19-20H,4-7,10-13,16H2,1-3H3,(H,33,39)(H,30,34,35);7-8,13-14,16,18-19H,3-6,9-12,15H2,1-2H3,(H,33,39)(H,30,34,35);8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,30,39)(H,29,31,32);7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,30,39)(H,29,31,32).
What are the key properties of 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 2208.52 g/mol, XLogP of 12.93, 24 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 158733254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).