4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

C60H74ClF3N12O6 — CID 123641062

IUPAC4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cc(F)c(C4CCN(CCOc5cc6c(cn5)nc(NC(=O)c5ccc(F)c(Cl)c5)n6C5CCC(C(=O)NC(C)C)CC5)CC4)c(F)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C60H74ClF3N12O6/c1-35(2)67-55(77)38-8-13-42(14-9-38)75-50-31-53(66-33-48(50)69-59(75)71-57(79)40-12-17-45(62)44(61)28-40)82-27-25-74-22-18-37(19-23-74)54-46(63)29-41(30-47(54)64)58(80)72-60-70-49-34-65-52(81-26-24-73-20-6-5-7-21-73)32-51(49)76(60)43-15-10-39(11-16-43)56(78)68-36(3)4/h12,17,28-39,42-43H,5-11,13-16,18-27H2,1-4H3,(H,67,77)(H,68,78)(H,69,71,79)(H,70,72,80)
InChIKeyBHKIQYDOJUPQIA-UHFFFAOYSA-N
MW1151.78 g/mol
LogP10.39
Rot. Bonds19

About 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 123641062) has the molecular formula C60H74ClF3N12O6 and a molecular weight of 1151.78 g/mol. Its IUPAC name is 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID123641062
Molecular FormulaC60H74ClF3N12O6
Molecular Weight1151.78 g/mol
Exact Mass1150.55
IUPAC Name4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cc(F)c(C4CCN(CCOc5cc6c(cn5)nc(NC(=O)c5ccc(F)c(Cl)c5)n6C5CCC(C(=O)NC(C)C)CC5)CC4)c(F)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C60H74ClF3N12O6/c1-35(2)67-55(77)38-8-13-42(14-9-38)75-50-31-53(66-33-48(50)69-59(75)71-57(79)40-12-17-45(62)44(61)28-40)82-27-25-74-22-18-37(19-23-74)54-46(63)29-41(30-47(54)64)58(80)72-60-70-49-34-65-52(81-26-24-73-20-6-5-7-21-73)32-51(49)76(60)43-15-10-39(11-16-43)56(78)68-36(3)4/h12,17,28-39,42-43H,5-11,13-16,18-27H2,1-4H3,(H,67,77)(H,68,78)(H,69,71,79)(H,70,72,80)
InChIKeyBHKIQYDOJUPQIA-UHFFFAOYSA-N
XLogP10.39
TPSA202.76 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.78
LogP ≤ 510.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230271949, Example 16
CID 168678369
US20230271949, Example 21
CID 168678374
US20230271949, Example 78
CID 168678431
US20230271949, Example 89
CID 168678442
US10738052, Example 180
CID 59420977
4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
CID 56651369
4-fluoro-N-[1-[4-[(3S)-3-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide
CID 56651706
3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
CID 56652059
N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
CID 56652060
(E)-N-(1-(cis-4-(3,3-difluoroazetidine-1-carbonyl)cyclohexyl)-6-(2-(4-(2-hydroxypropan-2-yl)piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)-3-fluorobenzamide
CID 56652062
N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]-3-(trifluoromethyl)benzamide
CID 56652403
(E)-3-chloro-4-fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)benzamide
CID 56652406

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 123641062) is 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3cc(F)c(C4CCN(CCOc5cc6c(cn5)nc(NC(=O)c5ccc(F)c(Cl)c5)n6C5CCC(C(=O)NC(C)C)CC5)CC4)c(F)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1.
What is the InChIKey of 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is BHKIQYDOJUPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H74ClF3N12O6/c1-35(2)67-55(77)38-8-13-42(14-9-38)75-50-31-53(66-33-48(50)69-59(75)71-57(79)40-12-17-45(62)44(61)28-40)82-27-25-74-22-18-37(19-23-74)54-46(63)29-41(30-47(54)64)58(80)72-60-70-49-34-65-52(81-26-24-73-20-6-5-7-21-73)32-51(49)76(60)43-15-10-39(11-16-43)56(78)68-36(3)4/h12,17,28-39,42-43H,5-11,13-16,18-27H2,1-4H3,(H,67,77)(H,68,78)(H,69,71,79)(H,70,72,80).
What are the key properties of 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 1151.78 g/mol, XLogP of 10.39, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[2-[(3-chloro-4-fluorobenzoyl)amino]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]-3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 123641062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).