N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide

C22H21FN6O2 — CID 167500596

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide
SMILESCOc1cnc2c(C(=O)Nc3cc(F)c4nc(C)cn4c3)ccc(N3CCCC3)c2n1
InChIInChI=1S/C22H21FN6O2/c1-13-11-29-12-14(9-16(23)21(29)25-13)26-22(30)15-5-6-17(28-7-3-4-8-28)20-19(15)24-10-18(27-20)31-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,26,30)
InChIKeyQULPJTOLKJDHJY-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.59
Rot. Bonds4

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide (PubChem CID 167500596) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide
PubChem CID167500596
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide
SMILESCOc1cnc2c(C(=O)Nc3cc(F)c4nc(C)cn4c3)ccc(N3CCCC3)c2n1
InChIInChI=1S/C22H21FN6O2/c1-13-11-29-12-14(9-16(23)21(29)25-13)26-22(30)15-5-6-17(28-7-3-4-8-28)20-19(15)24-10-18(27-20)31-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,26,30)
InChIKeyQULPJTOLKJDHJY-UHFFFAOYSA-N
XLogP3.59
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 167500340
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
CID 167500194
tert-butyl N-[(3S)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 167500671
tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 167500324
8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
CID 167500756
8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
CID 167500294
CID 167500186
CID 167500186
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
CID 167500253
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 166848134
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175586818

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide (CID 167500596) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide is COc1cnc2c(C(=O)Nc3cc(F)c4nc(C)cn4c3)ccc(N3CCCC3)c2n1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide?
The InChIKey is QULPJTOLKJDHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-13-11-29-12-14(9-16(23)21(29)25-13)26-22(30)15-5-6-17(28-7-3-4-8-28)20-19(15)24-10-18(27-20)31-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,26,30).
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide is sourced from PubChem (CID 167500596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).