8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide

C24H26FN7O — CID 167500756

IUPAC8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
SMILESCc1cnc2c(C(=O)Nc3cc(F)c4nc(C)cn4c3)ccc(N3C[C@@H](C)N[C@@H](C)C3)c2n1
InChIInChI=1S/C24H26FN7O/c1-13-8-26-21-18(5-6-20(22(21)28-13)31-9-14(2)27-15(3)10-31)24(33)30-17-7-19(25)23-29-16(4)11-32(23)12-17/h5-8,11-12,14-15,27H,9-10H2,1-4H3,(H,30,33)/t14-,15+
InChIKeyDTPDTLKKAVONOP-GASCZTMLSA-N
MW447.52 g/mol
LogP3.47
Rot. Bonds3

About 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide

8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide (PubChem CID 167500756) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide.

Molecular Properties

Compound Name8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
PubChem CID167500756
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
SMILESCc1cnc2c(C(=O)Nc3cc(F)c4nc(C)cn4c3)ccc(N3C[C@@H](C)N[C@@H](C)C3)c2n1
InChIInChI=1S/C24H26FN7O/c1-13-8-26-21-18(5-6-20(22(21)28-13)31-9-14(2)27-15(3)10-31)24(33)30-17-7-19(25)23-29-16(4)11-32(23)12-17/h5-8,11-12,14-15,27H,9-10H2,1-4H3,(H,30,33)/t14-,15+
InChIKeyDTPDTLKKAVONOP-GASCZTMLSA-N
XLogP3.47
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?
The IUPAC name of 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) is 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide.
What is the SMILES notation for 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?
The canonical SMILES for 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide is Cc1cnc2c(C(=O)Nc3cc(F)c4nc(C)cn4c3)ccc(N3C[C@@H](C)N[C@@H](C)C3)c2n1.
What is the InChIKey of 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?
The InChIKey is DTPDTLKKAVONOP-GASCZTMLSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-13-8-26-21-18(5-6-20(22(21)28-13)31-9-14(2)27-15(3)10-31)24(33)30-17-7-19(25)23-29-16(4)11-32(23)12-17/h5-8,11-12,14-15,27H,9-10H2,1-4H3,(H,30,33)/t14-,15+.
What are the key properties of 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?
8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide is sourced from PubChem (CID 167500756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).