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

C26H19F3N8O3S — CID 19416557

IUPAC3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4c(C(N)=O)sc5nc(C(F)(F)F)cc(-c6ccco6)c45)cnn23)c(C)n1
InChIInChI=1S/C26H19F3N8O3S/c1-3-36-11-15(12(2)35-36)16-6-7-31-23-14(10-32-37(16)23)24(39)34-20-19-13(17-5-4-8-40-17)9-18(26(27,28)29)33-25(19)41-21(20)22(30)38/h4-11H,3H2,1-2H3,(H2,30,38)(H,34,39)
InChIKeyJJRHGBKVVGJXOV-UHFFFAOYSA-N
MW580.55 g/mol
LogP5.16
Rot. Bonds6

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

3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416557) has the molecular formula C26H19F3N8O3S and a molecular weight of 580.55 g/mol. Its IUPAC name is 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19416557
Molecular FormulaC26H19F3N8O3S
Molecular Weight580.55 g/mol
Exact Mass580.13
IUPAC Name3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4c(C(N)=O)sc5nc(C(F)(F)F)cc(-c6ccco6)c45)cnn23)c(C)n1
InChIInChI=1S/C26H19F3N8O3S/c1-3-36-11-15(12(2)35-36)16-6-7-31-23-14(10-32-37(16)23)24(39)34-20-19-13(17-5-4-8-40-17)9-18(26(27,28)29)33-25(19)41-21(20)22(30)38/h4-11H,3H2,1-2H3,(H2,30,38)(H,34,39)
InChIKeyJJRHGBKVVGJXOV-UHFFFAOYSA-N
XLogP5.16
TPSA146.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
6-(2,5-dimethylfuran-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25555512
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
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
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333531
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
US9550778, chem-us-00193
CID 121263119
US9550778, chem-us-00203
CID 121263139
Ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1040122
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2973238
N-(6-tert-butyl-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 15998626

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19416557) is 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4c(C(N)=O)sc5nc(C(F)(F)F)cc(-c6ccco6)c45)cnn23)c(C)n1.
What is the InChIKey of 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JJRHGBKVVGJXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N8O3S/c1-3-36-11-15(12(2)35-36)16-6-7-31-23-14(10-32-37(16)23)24(39)34-20-19-13(17-5-4-8-40-17)9-18(26(27,28)29)33-25(19)41-21(20)22(30)38/h4-11H,3H2,1-2H3,(H2,30,38)(H,34,39).
What are the key properties of 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 580.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).