4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C24H13F3N6O3S2 — CID 19416798

IUPAC4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C24H13F3N6O3S2/c25-24(26,27)16-9-11(14-3-1-7-36-14)17-18(19(20(28)34)38-23(17)31-16)32-22(35)12-10-30-33-13(5-6-29-21(12)33)15-4-2-8-37-15/h1-10H,(H2,28,34)(H,32,35)
InChIKeyBMMNMZFWQGMUCR-UHFFFAOYSA-N
MW554.54 g/mol
LogP5.70
Rot. Bonds5

About 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416798) has the molecular formula C24H13F3N6O3S2 and a molecular weight of 554.54 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19416798
Molecular FormulaC24H13F3N6O3S2
Molecular Weight554.54 g/mol
Exact Mass554.04
IUPAC Name4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C24H13F3N6O3S2/c25-24(26,27)16-9-11(14-3-1-7-36-14)17-18(19(20(28)34)38-23(17)31-16)32-22(35)12-10-30-33-13(5-6-29-21(12)33)15-4-2-8-37-15/h1-10H,(H2,28,34)(H,32,35)
InChIKeyBMMNMZFWQGMUCR-UHFFFAOYSA-N
XLogP5.70
TPSA128.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.54
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-2-furamide
CID 44390169
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
4-[6-(1-benzofuran-6-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 155544039
N-(2-furylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 645236
2-amino-N-ethyl-4-[3-[5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145967843
2-amino-N-ethyl-4-[3-[6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145969339
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(furan-3-ylmethyl)thiophene-2-carboxamide
CID 169552564
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111049
4-(Furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole
CID 2370217
2-amino-N-ethyl-4-[3-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]butoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145967669
N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797275
6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802238

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19416798) is 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BMMNMZFWQGMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F3N6O3S2/c25-24(26,27)16-9-11(14-3-1-7-36-14)17-18(19(20(28)34)38-23(17)31-16)32-22(35)12-10-30-33-13(5-6-29-21(12)33)15-4-2-8-37-15/h1-10H,(H2,28,34)(H,32,35).
What are the key properties of 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 554.54 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).