2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide

C19H19F3N6O — CID 53190990

IUPAC2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCn1cc2c(N3CCCCC3)nc(C(=O)Nc3ccc(C(F)(F)F)cc3)nc2n1
InChIInChI=1S/C19H19F3N6O/c1-27-11-14-15(26-27)24-16(25-17(14)28-9-3-2-4-10-28)18(29)23-13-7-5-12(6-8-13)19(20,21)22/h5-8,11H,2-4,9-10H2,1H3,(H,23,29)
InChIKeyZRXCDCPHDCARNV-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide

2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 53190990) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID53190990
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCn1cc2c(N3CCCCC3)nc(C(=O)Nc3ccc(C(F)(F)F)cc3)nc2n1
InChIInChI=1S/C19H19F3N6O/c1-27-11-14-15(26-27)24-16(25-17(14)28-9-3-2-4-10-28)18(29)23-13-7-5-12(6-8-13)19(20,21)22/h5-8,11H,2-4,9-10H2,1H3,(H,23,29)
InChIKeyZRXCDCPHDCARNV-UHFFFAOYSA-N
XLogP3.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-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

2-methyl-4-piperidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190996
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
1-(4-fluorophenyl)-3-[11-methyl-4-[4-(trifluoromethyl)phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
CID 56678639
3-(azepan-1-ylsulfonyl)-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 53143029
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide
CID 173163988
4-(azepan-1-yl)-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108155
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302142
2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42666115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 53190990) is 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide is Cn1cc2c(N3CCCCC3)nc(C(=O)Nc3ccc(C(F)(F)F)cc3)nc2n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is ZRXCDCPHDCARNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-27-11-14-15(26-27)24-16(25-17(14)28-9-3-2-4-10-28)18(29)23-13-7-5-12(6-8-13)19(20,21)22/h5-8,11H,2-4,9-10H2,1H3,(H,23,29).
What are the key properties of 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53190990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).