1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol

C21H24N6O — CID 31192918

IUPAC1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(N3CCc4[nH]nc(-c5ccccc5)c4C3)n2)CC1
InChIInChI=1S/C21H24N6O/c28-16-7-11-26(12-8-16)19-6-10-22-21(23-19)27-13-9-18-17(14-27)20(25-24-18)15-4-2-1-3-5-15/h1-6,10,16,28H,7-9,11-14H2,(H,24,25)
InChIKeyKJBUQCYJHCYNPE-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.39
Rot. Bonds3

About 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol

1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 31192918) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID31192918
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(N3CCc4[nH]nc(-c5ccccc5)c4C3)n2)CC1
InChIInChI=1S/C21H24N6O/c28-16-7-11-26(12-8-16)19-6-10-22-21(23-19)27-13-9-18-17(14-27)20(25-24-18)15-4-2-1-3-5-15/h1-6,10,16,28H,7-9,11-14H2,(H,24,25)
InChIKeyKJBUQCYJHCYNPE-UHFFFAOYSA-N
XLogP2.39
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
4-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid
CID 11150934
1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-ol;dihydrochloride
CID 154898969
3-cyclopropyl-5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 72929132
(4-phenyl-1H-imidazol-5-yl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56754225
1-[2-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 122559185
2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline
CID 108771574
furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone
CID 121442732
(3-hydroxy-2-pyridinyl)-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 56870256
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride
CID 154919752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol (CID 31192918) is 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2ccnc(N3CCc4[nH]nc(-c5ccccc5)c4C3)n2)CC1.
What is the InChIKey of 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is KJBUQCYJHCYNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-16-7-11-26(12-8-16)19-6-10-22-21(23-19)27-13-9-18-17(14-27)20(25-24-18)15-4-2-1-3-5-15/h1-6,10,16,28H,7-9,11-14H2,(H,24,25).
What are the key properties of 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 376.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 31192918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).