1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol

C19H24N6O — CID 171445984

IUPAC1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol
SMILESCC(C)c1cc(N2CCCC(O)(c3ncn4ccccc34)C2)nc(N)n1
InChIInChI=1S/C19H24N6O/c1-13(2)14-10-16(23-18(20)22-14)24-9-5-7-19(26,11-24)17-15-6-3-4-8-25(15)12-21-17/h3-4,6,8,10,12-13,26H,5,7,9,11H2,1-2H3,(H2,20,22,23)
InChIKeyLMKQCTJDEDUHGU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol

1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol (PubChem CID 171445984) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol
PubChem CID171445984
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol
SMILESCC(C)c1cc(N2CCCC(O)(c3ncn4ccccc34)C2)nc(N)n1
InChIInChI=1S/C19H24N6O/c1-13(2)14-10-16(23-18(20)22-14)24-9-5-7-19(26,11-24)17-15-6-3-4-8-25(15)12-21-17/h3-4,6,8,10,12-13,26H,5,7,9,11H2,1-2H3,(H2,20,22,23)
InChIKeyLMKQCTJDEDUHGU-UHFFFAOYSA-N
XLogP2.32
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol?
The IUPAC name of 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol (CID 171445984) is 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol.
What is the SMILES notation for 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol?
The canonical SMILES for 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol is CC(C)c1cc(N2CCCC(O)(c3ncn4ccccc34)C2)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol?
The InChIKey is LMKQCTJDEDUHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(2)14-10-16(23-18(20)22-14)24-9-5-7-19(26,11-24)17-15-6-3-4-8-25(15)12-21-17/h3-4,6,8,10,12-13,26H,5,7,9,11H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol?
1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol has a molecular weight of 352.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol is sourced from PubChem (CID 171445984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).