4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide

C21H22FN7O — CID 167501954

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](N)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C21H22FN7O/c1-12-8-29-10-14(7-17(22)20(29)24-12)25-21(30)15-3-4-18(28-6-5-13(23)9-28)16-11-27(2)26-19(15)16/h3-4,7-8,10-11,13H,5-6,9,23H2,1-2H3,(H,25,30)/t13-/m1/s1
InChIKeyDERYHHHPXRRFHS-CYBMUJFWSA-N
MW407.45 g/mol
LogP2.46
Rot. Bonds3

About 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide

4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (PubChem CID 167501954) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
PubChem CID167501954
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](N)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C21H22FN7O/c1-12-8-29-10-14(7-17(22)20(29)24-12)25-21(30)15-3-4-18(28-6-5-13(23)9-28)16-11-27(2)26-19(15)16/h3-4,7-8,10-11,13H,5-6,9,23H2,1-2H3,(H,25,30)/t13-/m1/s1
InChIKeyDERYHHHPXRRFHS-CYBMUJFWSA-N
XLogP2.46
TPSA93.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501002
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide
CID 167501548
tert-butyl N-cyclopropyl-N-[1-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]pyrrolidin-3-yl]carbamate
CID 167501370
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
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[(3R)-3-propan-2-ylpiperazin-1-yl]indazole-7-carboxamide
CID 167502208
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)indazole-7-carboxamide
CID 167501845
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (CID 167501954) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](N)C4)c4cn(C)nc34)cc(F)c2n1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The InChIKey is DERYHHHPXRRFHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-12-8-29-10-14(7-17(22)20(29)24-12)25-21(30)15-3-4-18(28-6-5-13(23)9-28)16-11-27(2)26-19(15)16/h3-4,7-8,10-11,13H,5-6,9,23H2,1-2H3,(H,25,30)/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is sourced from PubChem (CID 167501954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).