[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

C22H26N6O — CID 171336329

IUPAC[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)ncn1
InChIInChI=1S/C22H26N6O/c1-16-13-21(24-15-23-16)26(3)18-9-11-27(12-10-18)22(29)20-14-25-28(17(20)2)19-7-5-4-6-8-19/h4-8,13-15,18H,9-12H2,1-3H3
InChIKeyUSNSKBSAFAAXOQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.02
Rot. Bonds4

About [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 171336329) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID171336329
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)ncn1
InChIInChI=1S/C22H26N6O/c1-16-13-21(24-15-23-16)26(3)18-9-11-27(12-10-18)22(29)20-14-25-28(17(20)2)19-7-5-4-6-8-19/h4-8,13-15,18H,9-12H2,1-3H3
InChIKeyUSNSKBSAFAAXOQ-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone with MolForge

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Related Compounds

isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889184
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
(5-methyl-1-phenylpyrazol-4-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903755
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90586770
[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 126889193
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 171336329) is [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1cc(N(C)C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)ncn1.
What is the InChIKey of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is USNSKBSAFAAXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16-13-21(24-15-23-16)26(3)18-9-11-27(12-10-18)22(29)20-14-25-28(17(20)2)19-7-5-4-6-8-19/h4-8,13-15,18H,9-12H2,1-3H3.
What are the key properties of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 171336329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).