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

C25H23ClN6O — CID 90299612

IUPAC7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H23ClN6O/c1-16-10-17(2)24(28-12-16)19-11-22(27-13-20(19)26)32-9-8-31-14-21(30-23(31)15-32)25(33)29-18-6-4-3-5-7-18/h3-7,10-14H,8-9,15H2,1-2H3,(H,29,33)
InChIKeyHCAOYAWUNJOYQT-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.88
Rot. Bonds4

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

7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 90299612) has the molecular formula C25H23ClN6O and a molecular weight of 458.95 g/mol. Its IUPAC name is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID90299612
Molecular FormulaC25H23ClN6O
Molecular Weight458.95 g/mol
Exact Mass458.16
IUPAC Name7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C25H23ClN6O/c1-16-10-17(2)24(28-12-16)19-11-22(27-13-20(19)26)32-9-8-31-14-21(30-23(31)15-32)25(33)29-18-6-4-3-5-7-18/h3-7,10-14H,8-9,15H2,1-2H3,(H,29,33)
InChIKeyHCAOYAWUNJOYQT-UHFFFAOYSA-N
XLogP4.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.88
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-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 90299612) is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-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-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is HCAOYAWUNJOYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O/c1-16-10-17(2)24(28-12-16)19-11-22(27-13-20(19)26)32-9-8-31-14-21(30-23(31)15-32)25(33)29-18-6-4-3-5-7-18/h3-7,10-14H,8-9,15H2,1-2H3,(H,29,33).
What are the key properties of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 4.88, 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-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 90299612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).