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

C22H25ClN6O2 — CID 90656292

IUPAC7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)N(C)CCO)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C22H25ClN6O2/c1-14-8-15(2)21(25-10-14)16-9-19(24-11-17(16)23)29-5-4-28-12-18(26-20(28)13-29)22(31)27(3)6-7-30/h8-12,30H,4-7,13H2,1-3H3
InChIKeyTVRPACKUHNZVKX-UHFFFAOYSA-N
MW440.94 g/mol
LogP2.69
Rot. Bonds5

About 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 90656292) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID90656292
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)N(C)CCO)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C22H25ClN6O2/c1-14-8-15(2)21(25-10-14)16-9-19(24-11-17(16)23)29-5-4-28-12-18(26-20(28)13-29)22(31)27(3)6-7-30/h8-12,30H,4-7,13H2,1-3H3
InChIKeyTVRPACKUHNZVKX-UHFFFAOYSA-N
XLogP2.69
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-hydroxyethyl)-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-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 90656292) is 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is Cc1cnc(-c2cc(N3CCn4cc(C(=O)N(C)CCO)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is TVRPACKUHNZVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-14-8-15(2)21(25-10-14)16-9-19(24-11-17(16)23)29-5-4-28-12-18(26-20(28)13-29)22(31)27(3)6-7-30/h8-12,30H,4-7,13H2,1-3H3.
What are the key properties of 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-hydroxyethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 90656292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).