[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C23H25ClN6O — CID 90286574

IUPAC[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H25ClN6O/c1-15-9-16(2)22(26-11-15)17-10-20(25-12-18(17)24)30-8-7-29-13-19(27-21(29)14-30)23(31)28-5-3-4-6-28/h9-13H,3-8,14H2,1-2H3
InChIKeyCMDQQXBOCJAGIK-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.87
Rot. Bonds3

About [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 90286574) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID90286574
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H25ClN6O/c1-15-9-16(2)22(26-11-15)17-10-20(25-12-18(17)24)30-8-7-29-13-19(27-21(29)14-30)23(31)28-5-3-4-6-28/h9-13H,3-8,14H2,1-2H3
InChIKeyCMDQQXBOCJAGIK-UHFFFAOYSA-N
XLogP3.87
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone 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]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 90286574) is [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CMDQQXBOCJAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-15-9-16(2)22(26-11-15)17-10-20(25-12-18(17)24)30-8-7-29-13-19(27-21(29)14-30)23(31)28-5-3-4-6-28/h9-13H,3-8,14H2,1-2H3.
What are the key properties of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 436.95 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 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]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 90286574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).