[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)

C63H70N16O4 — CID 164969842

IUPAC[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)
SMILESCn1cc(-c2cn3c(-c4cccc(NC5CCCC5)n4)cnc3cc2CO)cn1.Cn1cc(-c2cn3c(-c4cccc(NC5CCCC5)n4)cnc3cc2CO)cn1.OCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1CO
InChIInChI=1S/2C22H24N6O.C19H22N4O2/c2*1-27-12-16(10-24-27)18-13-28-20(11-23-22(28)9-15(18)14-29)19-7-4-8-21(26-19)25-17-5-2-3-6-17;24-11-13-8-19-20-9-17(23(19)10-14(13)12-25)16-6-3-7-18(22-16)21-15-4-1-2-5-15/h2*4,7-13,17,29H,2-3,5-6,14H2,1H3,(H,25,26);3,6-10,15,24-25H,1-2,4-5,11-12H2,(H,21,22)
InChIKeyCYXYRAJZAMWGDI-UHFFFAOYSA-N
MW1115.36 g/mol
LogP10.02
Rot. Bonds15

About [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)

[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol) (PubChem CID 164969842) has the molecular formula C63H70N16O4 and a molecular weight of 1115.36 g/mol. Its IUPAC name is [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)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;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)
PubChem CID164969842
Molecular FormulaC63H70N16O4
Molecular Weight1115.36 g/mol
Exact Mass1114.58
IUPAC Name[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)
SMILESCn1cc(-c2cn3c(-c4cccc(NC5CCCC5)n4)cnc3cc2CO)cn1.Cn1cc(-c2cn3c(-c4cccc(NC5CCCC5)n4)cnc3cc2CO)cn1.OCc1cc2ncc(-c3cccc(NC4CCCC4)n3)n2cc1CO
InChIInChI=1S/2C22H24N6O.C19H22N4O2/c2*1-27-12-16(10-24-27)18-13-28-20(11-23-22(28)9-15(18)14-29)19-7-4-8-21(26-19)25-17-5-2-3-6-17;24-11-13-8-19-20-9-17(23(19)10-14(13)12-25)16-6-3-7-18(22-16)21-15-4-1-2-5-15/h2*4,7-13,17,29H,2-3,5-6,14H2,1H3,(H,25,26);3,6-10,15,24-25H,1-2,4-5,11-12H2,(H,21,22)
InChIKeyCYXYRAJZAMWGDI-UHFFFAOYSA-N
XLogP10.02
TPSA243.22 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001115.36
LogP ≤ 510.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)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;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol) (CID 164969842) is [3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)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;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)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;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol) is Cn1cc(-c2cn3c(-c4cccc(NC5CCCC5)n4)cnc3cc2CO)cn1.Cn1cc(-c2cn3c(-c4cccc(NC5CCCC5)n4)cnc3cc2CO)cn1.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;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)?
The InChIKey is CYXYRAJZAMWGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H24N6O.C19H22N4O2/c2*1-27-12-16(10-24-27)18-13-28-20(11-23-22(28)9-15(18)14-29)19-7-4-8-21(26-19)25-17-5-2-3-6-17;24-11-13-8-19-20-9-17(23(19)10-14(13)12-25)16-6-3-7-18(22-16)21-15-4-1-2-5-15/h2*4,7-13,17,29H,2-3,5-6,14H2,1H3,(H,25,26);3,6-10,15,24-25H,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;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)?
[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol) has a molecular weight of 1115.36 g/mol, XLogP of 10.02, 15 rotatable bonds, 7 hydrogen bond donors, and 20 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;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol) is sourced from PubChem (CID 164969842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).