8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide

C24H20F3N7O — CID 151391110

IUPAC8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cn2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)c2n1)C(F)F
InChIInChI=1S/C24H20F3N7O/c1-12(21(26)27)30-24(35)17-10-34-20(14-5-8-16-18(9-14)33(2)11-29-16)19(32-22(28)23(34)31-17)13-3-6-15(25)7-4-13/h3-12,21H,1-2H3,(H2,28,32)(H,30,35)
InChIKeyOULSYLQRCDKUAP-UHFFFAOYSA-N
MW479.47 g/mol
LogP4.05
Rot. Bonds5

About 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide

8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 151391110) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID151391110
Molecular FormulaC24H20F3N7O
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC Name8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cn2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)c2n1)C(F)F
InChIInChI=1S/C24H20F3N7O/c1-12(21(26)27)30-24(35)17-10-34-20(14-5-8-16-18(9-14)33(2)11-29-16)19(32-22(28)23(34)31-17)13-3-6-15(25)7-4-13/h3-12,21H,1-2H3,(H2,28,32)(H,30,35)
InChIKeyOULSYLQRCDKUAP-UHFFFAOYSA-N
XLogP4.05
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 151391110) is 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide is CC(NC(=O)c1cn2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)c2n1)C(F)F.
What is the InChIKey of 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OULSYLQRCDKUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O/c1-12(21(26)27)30-24(35)17-10-34-20(14-5-8-16-18(9-14)33(2)11-29-16)19(32-22(28)23(34)31-17)13-3-6-15(25)7-4-13/h3-12,21H,1-2H3,(H2,28,32)(H,30,35).
What are the key properties of 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 479.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 151391110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).