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

C25H22ClFN6O — CID 90299611

IUPAC7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5F)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H22ClFN6O/c1-15-9-16(2)24(29-11-15)17-10-22(28-12-18(17)26)33-8-7-32-13-21(30-23(32)14-33)25(34)31-20-6-4-3-5-19(20)27/h3-6,9-13H,7-8,14H2,1-2H3,(H,31,34)
InChIKeyWYFLFGUNKBDJTG-UHFFFAOYSA-N
MW476.94 g/mol
LogP5.02
Rot. Bonds4

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

7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 90299611) has the molecular formula C25H22ClFN6O and a molecular weight of 476.94 g/mol. Its IUPAC name is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-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-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID90299611
Molecular FormulaC25H22ClFN6O
Molecular Weight476.94 g/mol
Exact Mass476.15
IUPAC Name7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5F)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H22ClFN6O/c1-15-9-16(2)24(29-11-15)17-10-22(28-12-18(17)26)33-8-7-32-13-21(30-23(32)14-33)25(34)31-20-6-4-3-5-19(20)27/h3-6,9-13H,7-8,14H2,1-2H3,(H,31,34)
InChIKeyWYFLFGUNKBDJTG-UHFFFAOYSA-N
XLogP5.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-fluorophenyl)-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-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 90299611) is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5F)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WYFLFGUNKBDJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O/c1-15-9-16(2)24(29-11-15)17-10-22(28-12-18(17)26)33-8-7-32-13-21(30-23(32)14-33)25(34)31-20-6-4-3-5-19(20)27/h3-6,9-13H,7-8,14H2,1-2H3,(H,31,34).
What are the key properties of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 5.02, 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-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 90299611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).