1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C20H23F3N8O — CID 45486121

IUPAC1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1
InChIInChI=1S/C20H23F3N8O/c1-2-29(11-20(21,22)23)19(32)13-5-3-7-30(10-13)15-9-14(26-12-27-15)16-17(24)28-31-8-4-6-25-18(16)31/h4,6,8-9,12-13H,2-3,5,7,10-11H2,1H3,(H2,24,28)
InChIKeyYQIGPSHQXOMOQQ-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.40
Rot. Bonds5

About 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 45486121) has the molecular formula C20H23F3N8O and a molecular weight of 448.45 g/mol. Its IUPAC name is 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID45486121
Molecular FormulaC20H23F3N8O
Molecular Weight448.45 g/mol
Exact Mass448.19
IUPAC Name1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1
InChIInChI=1S/C20H23F3N8O/c1-2-29(11-20(21,22)23)19(32)13-5-3-7-30(10-13)15-9-14(26-12-27-15)16-17(24)28-31-8-4-6-25-18(16)31/h4,6,8-9,12-13H,2-3,5,7,10-11H2,1H3,(H2,24,28)
InChIKeyYQIGPSHQXOMOQQ-UHFFFAOYSA-N
XLogP2.40
TPSA105.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide 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

PDE2 inhibitor 6
CID 129120905
US10774086, Example 31
CID 134551762
N-[(1S)-2,2-difluorocyclobutyl]-5-[[1-(3-fluoropyridin-2-yl)-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560738
5-[5-Amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821433
1-[7-(Difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]-4-(pyridin-2-YL)piperazine
CID 1094006
Vustanaciclib
CID 155282305
2-[5,7-Dimethyl-2-(pyridin-3-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50750207
4-[2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10,12-pentaen-6-one
CID 138857396
N-(3-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)butanamide
CID 90795938
N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 652197
7-(Difluoromethyl)-5-(4-methylphenyl)-3-{[2-(3-pyridinyl)-1-piperidinyl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 2978340
2,5,7-Trimethyl-6-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 3242799

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 45486121) is 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1.
What is the InChIKey of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YQIGPSHQXOMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O/c1-2-29(11-20(21,22)23)19(32)13-5-3-7-30(10-13)15-9-14(26-12-27-15)16-17(24)28-31-8-4-6-25-18(16)31/h4,6,8-9,12-13H,2-3,5,7,10-11H2,1H3,(H2,24,28).
What are the key properties of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45486121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).