4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C24H16F3N5O4S — CID 19509846

IUPAC4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccco5)c34)[nH]n2)c1
InChIInChI=1S/C24H16F3N5O4S/c1-35-12-5-2-4-11(8-12)14-10-15(32-31-14)22(34)30-19-18-13(16-6-3-7-36-16)9-17(24(25,26)27)29-23(18)37-20(19)21(28)33/h2-10H,1H3,(H2,28,33)(H,30,34)(H,31,32)
InChIKeyDKFCWHPCRVYABB-UHFFFAOYSA-N
MW527.48 g/mol
LogP5.32
Rot. Bonds6

About 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509846) has the molecular formula C24H16F3N5O4S and a molecular weight of 527.48 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19509846
Molecular FormulaC24H16F3N5O4S
Molecular Weight527.48 g/mol
Exact Mass527.09
IUPAC Name4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccco5)c34)[nH]n2)c1
InChIInChI=1S/C24H16F3N5O4S/c1-35-12-5-2-4-11(8-12)14-10-15(32-31-14)22(34)30-19-18-13(16-6-3-7-36-16)9-17(24(25,26)27)29-23(18)37-20(19)21(28)33/h2-10H,1H3,(H2,28,33)(H,30,34)(H,31,32)
InChIKeyDKFCWHPCRVYABB-UHFFFAOYSA-N
XLogP5.32
TPSA136.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.48
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid o-tolylamide
CID 1405158
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid phenylamide
CID 1974623
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1391336
(3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 1415611
3-amino-4-(furan-2-yl)-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1420362
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid m-tolylamide
CID 1426881
3-amino-4-(furan-2-yl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1982011
3-amino-4-(furan-2-yl)-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1388006
3-Amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46884358
3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1341891
3-Amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 17024715

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19509846) is 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccco5)c34)[nH]n2)c1.
What is the InChIKey of 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DKFCWHPCRVYABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O4S/c1-35-12-5-2-4-11(8-12)14-10-15(32-31-14)22(34)30-19-18-13(16-6-3-7-36-16)9-17(24(25,26)27)29-23(18)37-20(19)21(28)33/h2-10H,1H3,(H2,28,33)(H,30,34)(H,31,32).
What are the key properties of 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 527.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).