N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide

C25H23F3N4OS — CID 76773177

IUPACN-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnn2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C25H23F3N4OS/c1-14-18(11-22(34-14)24(33)31-23-20(29)3-2-10-25(23,27)28)19-12-30-32-13-16(6-9-21(19)32)15-4-7-17(26)8-5-15/h4-9,11-13,20,23H,2-3,10,29H2,1H3,(H,31,33)
InChIKeyWTYHPXKCCQNBML-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.42
Rot. Bonds4

About N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide

N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide (PubChem CID 76773177) has the molecular formula C25H23F3N4OS and a molecular weight of 484.55 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
PubChem CID76773177
Molecular FormulaC25H23F3N4OS
Molecular Weight484.55 g/mol
Exact Mass484.15
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnn2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C25H23F3N4OS/c1-14-18(11-22(34-14)24(33)31-23-20(29)3-2-10-25(23,27)28)19-12-30-32-13-16(6-9-21(19)32)15-4-7-17(26)8-5-15/h4-9,11-13,20,23H,2-3,10,29H2,1H3,(H,31,33)
InChIKeyWTYHPXKCCQNBML-UHFFFAOYSA-N
XLogP5.42
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-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

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
N-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 44222483
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
2-(2-(3-(Trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 52948597
5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777151
5-amino-N-[[4-(5-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777316
5-amino-N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777437
5-amino-N-[[4-(2-fluoro-4-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777463
5-amino-N-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777513
N-((5-((1-isopropyl-1H-pyrazol-4-yl)sulfonyl)pyridin-2-yl)methyl)thieno[2,3-c]pyridine-2-carboxamide
CID 89793535
(R)-1-(3-(3-(4-((3-fluorophenyl)thio)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 139465220

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide (CID 76773177) is N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnn2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is WTYHPXKCCQNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4OS/c1-14-18(11-22(34-14)24(33)31-23-20(29)3-2-10-25(23,27)28)19-12-30-32-13-16(6-9-21(19)32)15-4-7-17(26)8-5-15/h4-9,11-13,20,23H,2-3,10,29H2,1H3,(H,31,33).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 76773177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).