2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride

C25H27ClF3N7O2S — CID 86698046

IUPAC2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride
SMILESCC(C)n1nc(C2CCNCC2)cc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1.Cl
InChIInChI=1S/C25H26F3N7O2S.ClH/c1-13(2)35-19(11-16(34-35)14-7-9-30-10-8-14)32-24-31-12-18-21(33-24)20(22(38-18)23(29)36)15-5-3-4-6-17(15)37-25(26,27)28;/h3-6,11-14,30H,7-10H2,1-2H3,(H2,29,36)(H,31,32,33);1H
InChIKeySCNBGYYMSASYLL-UHFFFAOYSA-N
MW582.05 g/mol
LogP5.77
Rot. Bonds7

About 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride

2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 86698046) has the molecular formula C25H27ClF3N7O2S and a molecular weight of 582.05 g/mol. Its IUPAC name is 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride
PubChem CID86698046
Molecular FormulaC25H27ClF3N7O2S
Molecular Weight582.05 g/mol
Exact Mass581.16
IUPAC Name2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride
SMILESCC(C)n1nc(C2CCNCC2)cc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1.Cl
InChIInChI=1S/C25H26F3N7O2S.ClH/c1-13(2)35-19(11-16(34-35)14-7-9-30-10-8-14)32-24-31-12-18-21(33-24)20(22(38-18)23(29)36)15-5-3-4-6-17(15)37-25(26,27)28;/h3-6,11-14,30H,7-10H2,1-2H3,(H2,29,36)(H,31,32,33);1H
InChIKeySCNBGYYMSASYLL-UHFFFAOYSA-N
XLogP5.77
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.05
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride (CID 86698046) is 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride is CC(C)n1nc(C2CCNCC2)cc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1.Cl.
What is the InChIKey of 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is SCNBGYYMSASYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O2S.ClH/c1-13(2)35-19(11-16(34-35)14-7-9-30-10-8-14)32-24-31-12-18-21(33-24)20(22(38-18)23(29)36)15-5-3-4-6-17(15)37-25(26,27)28;/h3-6,11-14,30H,7-10H2,1-2H3,(H2,29,36)(H,31,32,33);1H.
What are the key properties of 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride?
2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 582.05 g/mol, XLogP of 5.77, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-piperidin-4-yl-1-propan-2-ylpyrazol-5-yl)amino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 86698046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).