[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

C19H22N6O — CID 122703608

IUPAC[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESCc1ccc(C2CC=NN2C(=O)C2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C19H22N6O/c1-14-3-4-16(13-22-14)17-5-10-23-25(17)18(26)15-6-11-24(12-7-15)19-20-8-2-9-21-19/h2-4,8-10,13,15,17H,5-7,11-12H2,1H3
InChIKeySMLPIVSFVSARQR-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.36
Rot. Bonds3

About [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (PubChem CID 122703608) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
PubChem CID122703608
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESCc1ccc(C2CC=NN2C(=O)C2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C19H22N6O/c1-14-3-4-16(13-22-14)17-5-10-23-25(17)18(26)15-6-11-24(12-7-15)19-20-8-2-9-21-19/h2-4,8-10,13,15,17H,5-7,11-12H2,1H3
InChIKeySMLPIVSFVSARQR-UHFFFAOYSA-N
XLogP2.36
TPSA74.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone with MolForge

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Related Compounds

[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521808
[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134522247
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]methanone
CID 122703779
3-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 134522012
[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134521292
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(3-pyridin-3-yl-3,4-dihydropyrazol-2-yl)methanone
CID 122703623
2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 134521790
[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 134521628
[1-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
1-[4-[3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882514
N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
CID 122703629
2-[4-[3-(2,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 134522227

Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (CID 122703608) is [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is Cc1ccc(C2CC=NN2C(=O)C2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The InChIKey is SMLPIVSFVSARQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-3-4-16(13-22-14)17-5-10-23-25(17)18(26)15-6-11-24(12-7-15)19-20-8-2-9-21-19/h2-4,8-10,13,15,17H,5-7,11-12H2,1H3.
What are the key properties of [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 122703608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).