7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C25H21ClF2N6O — CID 90656299

IUPAC7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)c(F)c5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H21ClF2N6O/c1-14-7-15(2)24(30-10-14)17-9-22(29-11-18(17)26)34-6-5-33-12-21(32-23(33)13-34)25(35)31-16-3-4-19(27)20(28)8-16/h3-4,7-12H,5-6,13H2,1-2H3,(H,31,35)
InChIKeyLPFHUFINDXZPRT-UHFFFAOYSA-N
MW494.93 g/mol
LogP5.16
Rot. Bonds4

About 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 90656299) has the molecular formula C25H21ClF2N6O and a molecular weight of 494.93 g/mol. Its IUPAC name is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID90656299
Molecular FormulaC25H21ClF2N6O
Molecular Weight494.93 g/mol
Exact Mass494.14
IUPAC Name7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)c(F)c5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H21ClF2N6O/c1-14-7-15(2)24(30-10-14)17-9-22(29-11-18(17)26)34-6-5-33-12-21(32-23(33)13-34)25(35)31-16-3-4-19(27)20(28)8-16/h3-4,7-12H,5-6,13H2,1-2H3,(H,31,35)
InChIKeyLPFHUFINDXZPRT-UHFFFAOYSA-N
XLogP5.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 90656299) is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)c(F)c5)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is LPFHUFINDXZPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O/c1-14-7-15(2)24(30-10-14)17-9-22(29-11-18(17)26)34-6-5-33-12-21(32-23(33)13-34)25(35)31-16-3-4-19(27)20(28)8-16/h3-4,7-12H,5-6,13H2,1-2H3,(H,31,35).
What are the key properties of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 494.93 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 90656299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).