N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide

C69H65F6N17O — CID 145034647

IUPACN-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(C4=CCN(N(C)CCNc5cc(F)cc(-c6nccc7[nH]c(-c8n[nH]c9ccc(-c%10cncc(CN%11CCC(F)(F)C%11)c%10)c(F)c89)nc67)c5)c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)c(F)c54)nc23)c1
InChIInChI=1S/C69H65F6N17O/c1-89(2)23-19-78-47-28-41(26-45(70)31-47)61-63-54(13-17-80-61)83-66(85-63)52-15-21-92(56-12-10-51(59(72)57(52)56)44-30-49(36-77-35-44)82-68(93)40-7-5-4-6-8-40)90(3)24-20-79-48-29-42(27-46(71)32-48)62-64-55(14-18-81-62)84-67(86-64)65-58-53(87-88-65)11-9-50(60(58)73)43-25-39(33-76-34-43)37-91-22-16-69(74,75)38-91/h9-15,17-18,25-36,40,78-79H,4-8,16,19-24,37-38H2,1-3H3,(H,82,93)(H,83,85)(H,84,86)(H,87,88)
InChIKeyLNISZFSCGPLEAX-UHFFFAOYSA-N
MW1262.38 g/mol
LogP13.33
Rot. Bonds19

About N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 145034647) has the molecular formula C69H65F6N17O and a molecular weight of 1262.38 g/mol. Its IUPAC name is N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID145034647
Molecular FormulaC69H65F6N17O
Molecular Weight1262.38 g/mol
Exact Mass1261.55
IUPAC NameN-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(C4=CCN(N(C)CCNc5cc(F)cc(-c6nccc7[nH]c(-c8n[nH]c9ccc(-c%10cncc(CN%11CCC(F)(F)C%11)c%10)c(F)c89)nc67)c5)c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)c(F)c54)nc23)c1
InChIInChI=1S/C69H65F6N17O/c1-89(2)23-19-78-47-28-41(26-45(70)31-47)61-63-54(13-17-80-61)83-66(85-63)52-15-21-92(56-12-10-51(59(72)57(52)56)44-30-49(36-77-35-44)82-68(93)40-7-5-4-6-8-40)90(3)24-20-79-48-29-42(27-46(71)32-48)62-64-55(14-18-81-62)84-67(86-64)65-58-53(87-88-65)11-9-50(60(58)73)43-25-39(33-76-34-43)37-91-22-16-69(74,75)38-91/h9-15,17-18,25-36,40,78-79H,4-8,16,19-24,37-38H2,1-3H3,(H,82,93)(H,83,85)(H,84,86)(H,87,88)
InChIKeyLNISZFSCGPLEAX-UHFFFAOYSA-N
XLogP13.33
TPSA203.72 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001262.38
LogP ≤ 513.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide 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

Lorecivivint
CID 135565709
3-methyl-N-[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136273211
2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135985991
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 135987311
3-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 135987322
2,2-dimethyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135987329
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136213712
N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136214336
N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136214337
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136214343
N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136273052
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136273099

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 145034647) is N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide is CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(C4=CCN(N(C)CCNc5cc(F)cc(-c6nccc7[nH]c(-c8n[nH]c9ccc(-c%10cncc(CN%11CCC(F)(F)C%11)c%10)c(F)c89)nc67)c5)c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)c(F)c54)nc23)c1.
What is the InChIKey of N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is LNISZFSCGPLEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H65F6N17O/c1-89(2)23-19-78-47-28-41(26-45(70)31-47)61-63-54(13-17-80-61)83-66(85-63)52-15-21-92(56-12-10-51(59(72)57(52)56)44-30-49(36-77-35-44)82-68(93)40-7-5-4-6-8-40)90(3)24-20-79-48-29-42(27-46(71)32-48)62-64-55(14-18-81-62)84-67(86-64)65-58-53(87-88-65)11-9-50(60(58)73)43-25-39(33-76-34-43)37-91-22-16-69(74,75)38-91/h9-15,17-18,25-36,40,78-79H,4-8,16,19-24,37-38H2,1-3H3,(H,82,93)(H,83,85)(H,84,86)(H,87,88).
What are the key properties of N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 1262.38 g/mol, XLogP of 13.33, 19 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluoroanilino]ethyl-methylamino]-4-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-fluoro-2H-quinolin-6-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 145034647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).