1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol

C19H22N6O — CID 30957233

IUPAC1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1cnc(N2CCC(O)(c3cccnc3)CC2)nc1-c1cnn(C)c1
InChIInChI=1S/C19H22N6O/c1-14-10-21-18(23-17(14)15-11-22-24(2)13-15)25-8-5-19(26,6-9-25)16-4-3-7-20-12-16/h3-4,7,10-13,26H,5-6,8-9H2,1-2H3
InChIKeyYEPGNMWXBGESLP-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.07
Rot. Bonds3

About 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol

1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 30957233) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID30957233
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1cnc(N2CCC(O)(c3cccnc3)CC2)nc1-c1cnn(C)c1
InChIInChI=1S/C19H22N6O/c1-14-10-21-18(23-17(14)15-11-22-24(2)13-15)25-8-5-19(26,6-9-25)16-4-3-7-20-12-16/h3-4,7,10-13,26H,5-6,8-9H2,1-2H3
InChIKeyYEPGNMWXBGESLP-UHFFFAOYSA-N
XLogP2.07
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol (CID 30957233) is 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol is Cc1cnc(N2CCC(O)(c3cccnc3)CC2)nc1-c1cnn(C)c1.
What is the InChIKey of 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is YEPGNMWXBGESLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-10-21-18(23-17(14)15-11-22-24(2)13-15)25-8-5-19(26,6-9-25)16-4-3-7-20-12-16/h3-4,7,10-13,26H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol?
1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 350.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 30957233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).