5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide

C58H45F2N15O2S — CID 145308775

IUPAC5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2cncc3[nH]c(C4=NCNc5c4cc(-c4cncc(CN6CCC(F)(F)C6)c4)cc5-c4cncc(-c5cncc6[nH]c(-c7n[nH]c8ccc(-c9cncc(C(=O)NCC%10CC%10)c9)cc78)nc56)c4)nc23)s1
InChIInChI=1S/C58H45F2N15O2S/c1-30(76)48-6-7-49(78-48)44-24-65-26-47-52(44)72-55(69-47)53-42-15-34(35-10-32(16-61-18-35)27-75-9-8-58(59,60)28-75)14-40(50(42)67-29-68-53)37-12-38(21-63-20-37)43-23-64-25-46-51(43)71-56(70-46)54-41-13-33(4-5-45(41)73-74-54)36-11-39(22-62-19-36)57(77)66-17-31-2-3-31/h4-7,10-16,18-26,31,67H,2-3,8-9,17,27-29H2,1H3,(H,66,77)(H,69,72)(H,70,71)(H,73,74)
InChIKeyGPMFIRVCXHZGIM-UHFFFAOYSA-N
MW1054.16 g/mol
LogP10.76
Rot. Bonds13

About 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide

5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide (PubChem CID 145308775) has the molecular formula C58H45F2N15O2S and a molecular weight of 1054.16 g/mol. Its IUPAC name is 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
PubChem CID145308775
Molecular FormulaC58H45F2N15O2S
Molecular Weight1054.16 g/mol
Exact Mass1053.36
IUPAC Name5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2cncc3[nH]c(C4=NCNc5c4cc(-c4cncc(CN6CCC(F)(F)C6)c4)cc5-c4cncc(-c5cncc6[nH]c(-c7n[nH]c8ccc(-c9cncc(C(=O)NCC%10CC%10)c9)cc78)nc56)c4)nc23)s1
InChIInChI=1S/C58H45F2N15O2S/c1-30(76)48-6-7-49(78-48)44-24-65-26-47-52(44)72-55(69-47)53-42-15-34(35-10-32(16-61-18-35)27-75-9-8-58(59,60)28-75)14-40(50(42)67-29-68-53)37-12-38(21-63-20-37)43-23-64-25-46-51(43)71-56(70-46)54-41-13-33(4-5-45(41)73-74-54)36-11-39(22-62-19-36)57(77)66-17-31-2-3-31/h4-7,10-16,18-26,31,67H,2-3,8-9,17,27-29H2,1H3,(H,66,77)(H,69,72)(H,70,71)(H,73,74)
InChIKeyGPMFIRVCXHZGIM-UHFFFAOYSA-N
XLogP10.76
TPSA224.29 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001054.16
LogP ≤ 510.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

10-fluoro-6-[6-[5-[2-[3-fluoro-4-[[8-fluoro-6-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carbonyl]amino]-5-methylphenyl]cyclopropyl]-1H-pyrazol-4-yl]pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130249087
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136273117
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136495809
N-[5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136600718
N-[5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136600729
N-[5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136643450
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136935491
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136935752
N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136935801
N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136935832
N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136935833
N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136935844

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide (CID 145308775) is 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide is CC(=O)c1ccc(-c2cncc3[nH]c(C4=NCNc5c4cc(-c4cncc(CN6CCC(F)(F)C6)c4)cc5-c4cncc(-c5cncc6[nH]c(-c7n[nH]c8ccc(-c9cncc(C(=O)NCC%10CC%10)c9)cc78)nc56)c4)nc23)s1.
What is the InChIKey of 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The InChIKey is GPMFIRVCXHZGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45F2N15O2S/c1-30(76)48-6-7-49(78-48)44-24-65-26-47-52(44)72-55(69-47)53-42-15-34(35-10-32(16-61-18-35)27-75-9-8-58(59,60)28-75)14-40(50(42)67-29-68-53)37-12-38(21-63-20-37)43-23-64-25-46-51(43)71-56(70-46)54-41-13-33(4-5-45(41)73-74-54)36-11-39(22-62-19-36)57(77)66-17-31-2-3-31/h4-7,10-16,18-26,31,67H,2-3,8-9,17,27-29H2,1H3,(H,66,77)(H,69,72)(H,70,71)(H,73,74).
What are the key properties of 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide?
5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide has a molecular weight of 1054.16 g/mol, XLogP of 10.76, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinazolin-8-yl]-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 145308775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).