[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol

C19H22N4O2 — CID 164969843

IUPAC[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1CO
InChIInChI=1S/C19H22N4O2/c24-11-13-8-19-20-9-17(23(19)10-14(13)12-25)16-6-3-7-18(22-16)21-15-4-1-2-5-15/h3,6-10,15,24-25H,1-2,4-5,11-12H2,(H,21,22)
InChIKeyWSOHWFFXUNIZJC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.74
Rot. Bonds5

About [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol

[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 164969843) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID164969843
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1CO
InChIInChI=1S/C19H22N4O2/c24-11-13-8-19-20-9-17(23(19)10-14(13)12-25)16-6-3-7-18(22-16)21-15-4-1-2-5-15/h3,6-10,15,24-25H,1-2,4-5,11-12H2,(H,21,22)
InChIKeyWSOHWFFXUNIZJC-UHFFFAOYSA-N
XLogP2.74
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 164969843) is [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol is OCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1CO.
What is the InChIKey of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is WSOHWFFXUNIZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-11-13-8-19-20-9-17(23(19)10-14(13)12-25)16-6-3-7-18(22-16)21-15-4-1-2-5-15/h3,6-10,15,24-25H,1-2,4-5,11-12H2,(H,21,22).
What are the key properties of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 338.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 164969843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).