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

C24H23F2N7O3 — CID 168988510

IUPACN-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
SMILESCOc1cccc(F)c1-n1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CC[C@H](N)C2)c1=O
InChIInChI=1S/C24H23F2N7O3/c1-31-20-15(11-29-31)21(32-9-7-13(27)12-32)18(10-17(20)26)30-23(34)14-6-8-28-33(24(14)35)22-16(25)4-3-5-19(22)36-2/h3-6,8,10-11,13H,7,9,12,27H2,1-2H3,(H,30,34)/t13-/m0/s1
InChIKeyHVDAXGSFKRVFPJ-ZDUSSCGKSA-N
MW495.49 g/mol
LogP2.20
Rot. Bonds5

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

N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide (PubChem CID 168988510) has the molecular formula C24H23F2N7O3 and a molecular weight of 495.49 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
PubChem CID168988510
Molecular FormulaC24H23F2N7O3
Molecular Weight495.49 g/mol
Exact Mass495.18
IUPAC NameN-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
SMILESCOc1cccc(F)c1-n1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CC[C@H](N)C2)c1=O
InChIInChI=1S/C24H23F2N7O3/c1-31-20-15(11-29-31)21(32-9-7-13(27)12-32)18(10-17(20)26)30-23(34)14-6-8-28-33(24(14)35)22-16(25)4-3-5-19(22)36-2/h3-6,8,10-11,13H,7,9,12,27H2,1-2H3,(H,30,34)/t13-/m0/s1
InChIKeyHVDAXGSFKRVFPJ-ZDUSSCGKSA-N
XLogP2.20
TPSA120.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-1,2-dimethylbenzimidazol-5-yl]-2-(2,6-difluorophenyl)-3-oxopyridazine-4-carboxamide
CID 168988442
N-[4-(3-aminopyrrolidin-1-yl)-1-methyl-2-propan-2-ylbenzimidazol-5-yl]-2-(2,6-difluorophenyl)-3-oxopyridazine-4-carboxamide
CID 168988190
N-[4-(3-aminopyrrolidin-1-yl)-2-(3-fluoro-4-pyridinyl)-1-methylbenzimidazol-5-yl]-2-(2,6-difluorophenyl)-3-oxopyridazine-4-carboxamide
CID 170083672
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
2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-morpholin-4-ylindazol-5-yl)pyrimidine-4-carboxamide
CID 139413889
N-[4-[(4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2-dimethylbenzimidazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 170090312
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-6-(2-fluoro-6-methoxyphenyl)pyridine-2-carboxamide
CID 168988527
N-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-1,2-benzothiazol-2-ium-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 177108950
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
5-[[2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carbonyl]amino]-1-methyl-4-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]indazole-7-carboxylic acid
CID 139413847
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-1-propan-2-ylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988251

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide (CID 168988510) is N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide is COc1cccc(F)c1-n1nccc(C(=O)Nc2cc(F)c3c(cnn3C)c2N2CC[C@H](N)C2)c1=O.
What is the InChIKey of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
The InChIKey is HVDAXGSFKRVFPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H23F2N7O3/c1-31-20-15(11-29-31)21(32-9-7-13(27)12-32)18(10-17(20)26)30-23(34)14-6-8-28-33(24(14)35)22-16(25)4-3-5-19(22)36-2/h3-6,8,10-11,13H,7,9,12,27H2,1-2H3,(H,30,34)/t13-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-1-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 168988510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).