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

C20H21ClN6O — CID 90656290

IUPAC7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C20H21ClN6O/c1-12-6-13(2)19(24-8-12)14-7-17(23-9-15(14)21)27-5-4-26-10-16(20(28)22-3)25-18(26)11-27/h6-10H,4-5,11H2,1-3H3,(H,22,28)
InChIKeyHFZBTEKWFVRYDZ-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.99
Rot. Bonds3

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

7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 90656290) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-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-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID90656290
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C20H21ClN6O/c1-12-6-13(2)19(24-8-12)14-7-17(23-9-15(14)21)27-5-4-26-10-16(20(28)22-3)25-18(26)11-27/h6-10H,4-5,11H2,1-3H3,(H,22,28)
InChIKeyHFZBTEKWFVRYDZ-UHFFFAOYSA-N
XLogP2.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.99
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-methyl-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-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 90656290) is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-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-methyl-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-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2.
What is the InChIKey of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is HFZBTEKWFVRYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-12-6-13(2)19(24-8-12)14-7-17(23-9-15(14)21)27-5-4-26-10-16(20(28)22-3)25-18(26)11-27/h6-10H,4-5,11H2,1-3H3,(H,22,28).
What are the key properties of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 2.99, 3 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-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 90656290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).