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

C23H27ClN6O — CID 130178649

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-ylmethanol
SMILESCc1cnc(-c2cc(N3CCn4cc(C(O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H27ClN6O/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/h9-13,23,31H,3-8,14H2,1-2H3
InChIKeyJDTFEITUDJKQHI-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.72
Rot. Bonds4

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-ylmethanol

[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanol (PubChem CID 130178649) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 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-ylmethanol.

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-ylmethanol
PubChem CID130178649
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
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-ylmethanol
SMILESCc1cnc(-c2cc(N3CCn4cc(C(O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H27ClN6O/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/h9-13,23,31H,3-8,14H2,1-2H3
InChIKeyJDTFEITUDJKQHI-UHFFFAOYSA-N
XLogP3.72
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ylmethanol 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-ylmethanol?
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-ylmethanol (CID 130178649) 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-ylmethanol.
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-ylmethanol?
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-ylmethanol 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-ylmethanol?
The InChIKey is JDTFEITUDJKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/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/h9-13,23,31H,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-ylmethanol?
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanol has a molecular weight of 438.96 g/mol, XLogP of 3.72, 4 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]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanol is sourced from PubChem (CID 130178649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).