[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

C19H22N6O — CID 137342675

IUPAC[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1ncnc(N2CCN(C(=O)c3cnn4cccc(C)c34)CC2)c1C
InChIInChI=1S/C19H22N6O/c1-13-5-4-6-25-17(13)16(11-22-25)19(26)24-9-7-23(8-10-24)18-14(2)15(3)20-12-21-18/h4-6,11-12H,7-10H2,1-3H3
InChIKeyKZWRNXDWAUKNDZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.01
Rot. Bonds2

About [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 137342675) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID137342675
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1ncnc(N2CCN(C(=O)c3cnn4cccc(C)c34)CC2)c1C
InChIInChI=1S/C19H22N6O/c1-13-5-4-6-25-17(13)16(11-22-25)19(26)24-9-7-23(8-10-24)18-14(2)15(3)20-12-21-18/h4-6,11-12H,7-10H2,1-3H3
InChIKeyKZWRNXDWAUKNDZ-UHFFFAOYSA-N
XLogP2.01
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 137342675) is [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is Cc1ncnc(N2CCN(C(=O)c3cnn4cccc(C)c34)CC2)c1C.
What is the InChIKey of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is KZWRNXDWAUKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-5-4-6-25-17(13)16(11-22-25)19(26)24-9-7-23(8-10-24)18-14(2)15(3)20-12-21-18/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 137342675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).