N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

C132H175F2N19O15 — CID 159899519

About N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide

N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (PubChem CID 159899519) has the molecular formula C132H175F2N19O15 and a molecular weight of 2305.97 g/mol. Its IUPAC name is N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.

Molecular Properties

• Compound Name: N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• PubChem CID: 159899519
• Molecular Formula: C132H175F2N19O15
• Molecular Weight: 2305.97 g/mol
• Exact Mass: 2304.35
• IUPAC Name: N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide
• SMILES: CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3cccc(C)c3)Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1cccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CC(F)(F)C3)CC2)c1.Cc1cccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1
• InChI: InChI=1S/C35H45F2N5O4.C34H46N4O5.C32H43N5O3.C31H41N5O3/c1-23-5-4-6-25(17-23)32(43)39-30-18-26-20-38-31(46-16-15-40-13-11-27(12-14-40)34(2,3)45)19-29(26)42(30)28-9-7-24(8-10-28)33(44)41-21-35(36,37)22-41;1-5-42-33(40)24-9-11-28(12-10-24)38-29-21-31(43-18-17-37-15-13-27(14-16-37)34(3,4)41)35-22-26(29)20-30(38)36-32(39)25-8-6-7-23(2)19-25;1-22(2)34-31(38)24-10-12-27(13-11-24)37-28-20-30(40-17-16-36-14-5-4-6-15-36)33-21-26(28)19-29(37)35-32(39)25-9-7-8-23(3)18-25;1-22(2)33-30(37)24-11-13-26(14-12-24)36-27-20-29(39-18-17-35-15-7-4-8-16-35)32-21-25(27)19-28(36)34-31(38)23-9-5-3-6-10-23/h4-6,17,19-20,24,27-28,45H,7-16,18,21-22H2,1-3H3;6-8,19,21-22,24,27-28,41H,5,9-18,20H2,1-4H3;7-9,18,20-22,24,27H,4-6,10-17,19H2,1-3H3,(H,34,38);3,5-6,9-10,20-22,24,26H,4,7-8,11-19H2,1-2H3,(H,33,37)/b39-30+;36-30+;35-29+;34-28+
• InChIKey: NVTUHUJVKCWMOK-QBXIZCSFSA-N
• XLogP: 19.44
• TPSA: 377.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2305.97
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The IUPAC name of N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide (CID 159899519) is N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide.

What is the SMILES notation for N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The canonical SMILES for N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is CC(C)NC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3cccc(C)c3)Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1.Cc1cccc(C(=O)/N=C2\Cc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc3N2C2CCC(C(=O)N3CC(F)(F)C3)CC2)c1.Cc1cccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)c1.

What is the InChIKey of N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

The InChIKey is NVTUHUJVKCWMOK-QBXIZCSFSA-N. The full InChI is InChI=1S/C35H45F2N5O4.C34H46N4O5.C32H43N5O3.C31H41N5O3/c1-23-5-4-6-25(17-23)32(43)39-30-18-26-20-38-31(46-16-15-40-13-11-27(12-14-40)34(2,3)45)19-29(26)42(30)28-9-7-24(8-10-28)33(44)41-21-35(36,37)22-41;1-5-42-33(40)24-9-11-28(12-10-24)38-29-21-31(43-18-17-37-15-13-27(14-16-37)34(3,4)41)35-22-26(29)20-30(38)36-32(39)25-8-6-7-23(2)19-25;1-22(2)34-31(38)24-10-12-27(13-11-24)37-28-20-30(40-17-16-36-14-5-4-6-15-36)33-21-26(28)19-29(37)35-32(39)25-9-7-8-23(3)18-25;1-22(2)33-30(37)24-11-13-26(14-12-24)36-27-20-29(39-18-17-35-15-7-4-8-16-35)32-21-25(27)19-28(36)34-31(38)23-9-5-3-6-10-23/h4-6,17,19-20,24,27-28,45H,7-16,18,21-22H2,1-3H3;6-8,19,21-22,24,27-28,41H,5,9-18,20H2,1-4H3;7-9,18,20-22,24,27H,4-6,10-17,19H2,1-3H3,(H,34,38);3,5-6,9-10,20-22,24,26H,4,7-8,11-19H2,1-2H3,(H,33,37)/b39-30+;36-30+;35-29+;34-28+.

What are the key properties of N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide?

N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide has a molecular weight of 2305.97 g/mol, XLogP of 19.44, 33 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]-3-methylbenzamide;ethyl 4-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;3-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide is sourced from PubChem (CID 159899519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).