4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide

C22H23FN6O — CID 175593504

IUPAC4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC[C@H](N)C4)c4cc(C)[nH]c34)cc(F)c2n1
InChIInChI=1S/C22H23FN6O/c1-12-7-17-19(28-6-5-14(24)10-28)4-3-16(20(17)25-12)22(30)27-15-8-18(23)21-26-13(2)9-29(21)11-15/h3-4,7-9,11,14,25H,5-6,10,24H2,1-2H3,(H,27,30)/t14-/m0/s1
InChIKeyCLRQKWBFNZFCKJ-AWEZNQCLSA-N
MW406.47 g/mol
LogP3.36
Rot. Bonds3

About 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide

4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide (PubChem CID 175593504) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide
PubChem CID175593504
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC[C@H](N)C4)c4cc(C)[nH]c34)cc(F)c2n1
InChIInChI=1S/C22H23FN6O/c1-12-7-17-19(28-6-5-14(24)10-28)4-3-16(20(17)25-12)22(30)27-15-8-18(23)21-26-13(2)9-29(21)11-15/h3-4,7-9,11,14,25H,5-6,10,24H2,1-2H3,(H,27,30)/t14-/m0/s1
InChIKeyCLRQKWBFNZFCKJ-AWEZNQCLSA-N
XLogP3.36
TPSA91.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501954
tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]carbamate
CID 175593413
tert-butyl (2S)-4-[(3R)-1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]pyrrolidin-3-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175593458
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593388
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
CID 167500253
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
CID 167502145
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[(3R)-3-piperazin-1-ylpyrrolidin-1-yl]indazole-7-carboxamide
CID 167501070
4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167502110
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide
CID 167501564
[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 176741432
2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
CID 90468665
4-(2,6-diazaspiro[3.3]heptan-2-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167502034

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide?
The IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide (CID 175593504) is 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CC[C@H](N)C4)c4cc(C)[nH]c34)cc(F)c2n1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide?
The InChIKey is CLRQKWBFNZFCKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-12-7-17-19(28-6-5-14(24)10-28)4-3-16(20(17)25-12)22(30)27-15-8-18(23)21-26-13(2)9-29(21)11-15/h3-4,7-9,11,14,25H,5-6,10,24H2,1-2H3,(H,27,30)/t14-/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide?
4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1H-indole-7-carboxamide is sourced from PubChem (CID 175593504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).