N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide

C25H24F2N6O2 — CID 168988527

IUPACN-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(F)c1-c1cccc(C(=O)Nc2cc(F)c3nn(C)cc3c2N2CC[C@H](N)C2)n1
InChIInChI=1S/C25H24F2N6O2/c1-32-13-15-23(31-32)17(27)11-20(24(15)33-10-9-14(28)12-33)30-25(34)19-7-4-6-18(29-19)22-16(26)5-3-8-21(22)35-2/h3-8,11,13-14H,9-10,12,28H2,1-2H3,(H,30,34)/t14-/m0/s1
InChIKeyCGZKVMQXEULEIV-AWEZNQCLSA-N
MW478.50 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide

N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 168988527) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide
PubChem CID168988527
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC NameN-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(F)c1-c1cccc(C(=O)Nc2cc(F)c3nn(C)cc3c2N2CC[C@H](N)C2)n1
InChIInChI=1S/C25H24F2N6O2/c1-32-13-15-23(31-32)17(27)11-20(24(15)33-10-9-14(28)12-33)30-25(34)19-7-4-6-18(29-19)22-16(26)5-3-8-21(22)35-2/h3-8,11,13-14H,9-10,12,28H2,1-2H3,(H,30,34)/t14-/m0/s1
InChIKeyCGZKVMQXEULEIV-AWEZNQCLSA-N
XLogP3.71
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139413928
[1-[5-[[2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carbonyl]amino]-2,7-dimethylindazol-4-yl]pyrrolidin-3-yl]carbamic acid
CID 139413960
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5-fluorophenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 171344643
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 168988510
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]-3-fluoro-2-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide
CID 168988664
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-1-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]ethanone
CID 161426770
N-[2-[(3S)-3-[(S)-amino(hydroxy)methyl]pyrrolidin-1-yl]-5-fluorophenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 163404621
N-[4-(4-aminopiperidin-1-yl)-1,2-dimethylbenzimidazol-5-yl]-3-fluoro-2-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide
CID 168988755
6-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide
CID 118233202
2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide
CID 139413889
6-(2,6-difluorophenyl)-N-[5-(4-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261824
N-[4-[(1S,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-fluoro-2-methylindazol-5-yl]-2-[N-ethenyl-C-(2-fluoro-6-methoxyphenyl)carbonimidoyl]iminopropanamide
CID 155460199

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide (CID 168988527) is N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide is COc1cccc(F)c1-c1cccc(C(=O)Nc2cc(F)c3nn(C)cc3c2N2CC[C@H](N)C2)n1.
What is the InChIKey of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is CGZKVMQXEULEIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-32-13-15-23(31-32)17(27)11-20(24(15)33-10-9-14(28)12-33)30-25(34)19-7-4-6-18(29-19)22-16(26)5-3-8-21(22)35-2/h3-8,11,13-14H,9-10,12,28H2,1-2H3,(H,30,34)/t14-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide?
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 168988527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).