(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H21N7O2 — CID 122337826

IUPAC(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cn1
InChIInChI=1S/C19H21N7O2/c1-14-22-16(12-17(23-14)26-7-3-6-21-26)24-8-10-25(11-9-24)19(27)15-4-5-18(28-2)20-13-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyISIZCWGOCMKRAH-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.34
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122337826) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122337826
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cn1
InChIInChI=1S/C19H21N7O2/c1-14-22-16(12-17(23-14)26-7-3-6-21-26)24-8-10-25(11-9-24)19(27)15-4-5-18(28-2)20-13-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyISIZCWGOCMKRAH-UHFFFAOYSA-N
XLogP1.34
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-benzothiazol-6-yl-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337698
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332338
3-(4-methoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337730
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
(3,4-dimethylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700193
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122332363
(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342217
(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344220
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748559
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 122348235

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122337826) is (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ISIZCWGOCMKRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-14-22-16(12-17(23-14)26-7-3-6-21-26)24-8-10-25(11-9-24)19(27)15-4-5-18(28-2)20-13-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 379.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122337826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).