[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C17H21N7O2 — CID 50980070

IUPAC[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCn1c(CO)nnc1CC1CCN(C(=O)c2cc3ncccn3n2)CC1
InChIInChI=1S/C17H21N7O2/c1-22-15(19-20-16(22)11-25)9-12-3-7-23(8-4-12)17(26)13-10-14-18-5-2-6-24(14)21-13/h2,5-6,10,12,25H,3-4,7-9,11H2,1H3
InChIKeyVGAGKTSWTFDJHZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.44
Rot. Bonds4

About [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 50980070) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID50980070
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCn1c(CO)nnc1CC1CCN(C(=O)c2cc3ncccn3n2)CC1
InChIInChI=1S/C17H21N7O2/c1-22-15(19-20-16(22)11-25)9-12-3-7-23(8-4-12)17(26)13-10-14-18-5-2-6-24(14)21-13/h2,5-6,10,12,25H,3-4,7-9,11H2,1H3
InChIKeyVGAGKTSWTFDJHZ-UHFFFAOYSA-N
XLogP0.44
TPSA101.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11142526, Example 150
CID 137533096
US10155765, Example 30
CID 122515241
(3-Imidazol-1-ylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 53605645
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 53613012
(2-Methylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 72045334
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 72142736
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(1-methylpyrazol-3-yl)methanone
CID 97402609
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110272191
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 118740247
1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72857033
1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-4-(1H-pyrazol-3-ylcarbonyl)-1,4-diazepan-6-ol
CID 74250457
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91774262

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 50980070) is [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is Cn1c(CO)nnc1CC1CCN(C(=O)c2cc3ncccn3n2)CC1.
What is the InChIKey of [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is VGAGKTSWTFDJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-22-15(19-20-16(22)11-25)9-12-3-7-23(8-4-12)17(26)13-10-14-18-5-2-6-24(14)21-13/h2,5-6,10,12,25H,3-4,7-9,11H2,1H3.
What are the key properties of [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 355.40 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 50980070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).