[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

C20H24N6O — CID 134522247

IUPAC[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCNc1ccnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C20H24N6O/c1-21-18-8-11-22-20(24-18)25-13-9-16(10-14-25)19(27)26-17(7-12-23-26)15-5-3-2-4-6-15/h2-6,8,11-12,16-17H,7,9-10,13-14H2,1H3,(H,21,22,24)/t17-/m0/s1
InChIKeyCITUQVWJKOSVTK-KRWDZBQOSA-N
MW364.45 g/mol
LogP2.69
Rot. Bonds4

About [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 134522247) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID134522247
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCNc1ccnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C20H24N6O/c1-21-18-8-11-22-20(24-18)25-13-9-16(10-14-25)19(27)26-17(7-12-23-26)15-5-3-2-4-6-15/h2-6,8,11-12,16-17H,7,9-10,13-14H2,1H3,(H,21,22,24)/t17-/m0/s1
InChIKeyCITUQVWJKOSVTK-KRWDZBQOSA-N
XLogP2.69
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134521292
[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521808
[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 122703608
(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-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
CID 122703629
tert-butyl N-[2-methyl-1-[2-methyl-1-[[2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]butan-2-yl]oxybutan-2-yl]carbamate
CID 163392936
2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 134521790
[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521427
[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703746
[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 134521628

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 134522247) is [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is CNc1ccnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)n1.
What is the InChIKey of [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is CITUQVWJKOSVTK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-21-18-8-11-22-20(24-18)25-13-9-16(10-14-25)19(27)26-17(7-12-23-26)15-5-3-2-4-6-15/h2-6,8,11-12,16-17H,7,9-10,13-14H2,1H3,(H,21,22,24)/t17-/m0/s1.
What are the key properties of [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 134522247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).