5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide

C42H31F4N11O2 — CID 144555306

IUPAC5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCC(n3nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c4cc(-c5cncc(F)c5)ccc43)C2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C42H31F4N11O2/c43-28-14-27(18-48-19-28)25-4-9-36-34(16-25)39(41(59)52-30-7-10-37(50-21-30)42(44,45)46)55-57(36)32-11-13-56(23-32)22-31-6-5-29(20-49-31)51-40(58)38-33-15-24(3-8-35(33)53-54-38)26-2-1-12-47-17-26/h1-10,12,14-21,32H,11,13,22-23H2,(H,51,58)(H,52,59)(H,53,54)
InChIKeyMBKTVWBGKZRLHW-UHFFFAOYSA-N
MW797.78 g/mol
LogP7.94
Rot. Bonds9

About 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide

5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 144555306) has the molecular formula C42H31F4N11O2 and a molecular weight of 797.78 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
PubChem CID144555306
Molecular FormulaC42H31F4N11O2
Molecular Weight797.78 g/mol
Exact Mass797.26
IUPAC Name5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCC(n3nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c4cc(-c5cncc(F)c5)ccc43)C2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C42H31F4N11O2/c43-28-14-27(18-48-19-28)25-4-9-36-34(16-25)39(41(59)52-30-7-10-37(50-21-30)42(44,45)46)55-57(36)32-11-13-56(23-32)22-31-6-5-29(20-49-31)51-40(58)38-33-15-24(3-8-35(33)53-54-38)26-2-1-12-47-17-26/h1-10,12,14-21,32H,11,13,22-23H2,(H,51,58)(H,52,59)(H,53,54)
InChIKeyMBKTVWBGKZRLHW-UHFFFAOYSA-N
XLogP7.94
TPSA159.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.78
LogP ≤ 57.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
1-[4-[4-[4-[2-(1H-indazol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798426
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
2-ethyl-N-[4-fluoro-2-methyl-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 9891972
5-(5-(3,3-dimethylureido)pyridin-3-yl)-N-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 86679697
N-(6-carbamoylpyridin-3-yl)-5-(5-(piperidin-1-ylmethyl)pyridin-3-yl)-1H-indazole-3-carboxamide
CID 86679707
N-4-pyridazinyl-5-(3-pyridinyl)-1H-Indazole-3-carboxamide
CID 89444818
5-[5-(1-Piperidinylmethyl)-3-pyridinyl]-N-4-pyridazinyl-1H-indazole-3-carboxamide
CID 89444820
N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444834
N-[6-[(4-methyl-1-piperazinyl)methyl]-3-pyridinyl]-5-(3-pyridinyl)-1H-Indazole-3-carboxamide
CID 89444841

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide (CID 144555306) is 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide is O=C(Nc1ccc(CN2CCC(n3nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c4cc(-c5cncc(F)c5)ccc43)C2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is MBKTVWBGKZRLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31F4N11O2/c43-28-14-27(18-48-19-28)25-4-9-36-34(16-25)39(41(59)52-30-7-10-37(50-21-30)42(44,45)46)55-57(36)32-11-13-56(23-32)22-31-6-5-29(20-49-31)51-40(58)38-33-15-24(3-8-35(33)53-54-38)26-2-1-12-47-17-26/h1-10,12,14-21,32H,11,13,22-23H2,(H,51,58)(H,52,59)(H,53,54).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 797.78 g/mol, XLogP of 7.94, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 144555306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).