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

C26H20F2N8O2S2 — CID 19416829

IUPAC6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cnn5c(-c6cccs6)ccnc45)c23)c(C)n1
InChIInChI=1S/C26H20F2N8O2S2/c1-3-35-11-15(12(2)34-35)13-9-16(22(27)28)32-26-19(13)20(21(40-26)23(29)37)33-25(38)14-10-31-36-17(6-7-30-24(14)36)18-5-4-8-39-18/h4-11,22H,3H2,1-2H3,(H2,29,37)(H,33,38)
InChIKeyFTMLIFIHWOBDAZ-UHFFFAOYSA-N
MW578.63 g/mol
LogP5.55
Rot. Bonds7

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

6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416829) has the molecular formula C26H20F2N8O2S2 and a molecular weight of 578.63 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19416829
Molecular FormulaC26H20F2N8O2S2
Molecular Weight578.63 g/mol
Exact Mass578.11
IUPAC Name6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cnn5c(-c6cccs6)ccnc45)c23)c(C)n1
InChIInChI=1S/C26H20F2N8O2S2/c1-3-35-11-15(12(2)34-35)13-9-16(22(27)28)32-26-19(13)20(21(40-26)23(29)37)33-25(38)14-10-31-36-17(6-7-30-24(14)36)18-5-4-8-39-18/h4-11,22H,3H2,1-2H3,(H2,29,37)(H,33,38)
InChIKeyFTMLIFIHWOBDAZ-UHFFFAOYSA-N
XLogP5.55
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.63
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19416829) is 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cnn5c(-c6cccs6)ccnc45)c23)c(C)n1.
What is the InChIKey of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FTMLIFIHWOBDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N8O2S2/c1-3-35-11-15(12(2)34-35)13-9-16(22(27)28)32-26-19(13)20(21(40-26)23(29)37)33-25(38)14-10-31-36-17(6-7-30-24(14)36)18-5-4-8-39-18/h4-11,22H,3H2,1-2H3,(H2,29,37)(H,33,38).
What are the key properties of 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 578.63 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).