3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C18H16ClF2N5O2S — CID 19477347

About 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19477347) has the molecular formula C18H16ClF2N5O2S and a molecular weight of 439.88 g/mol. Its IUPAC name is 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19477347
• Molecular Formula: C18H16ClF2N5O2S
• Molecular Weight: 439.88 g/mol
• Exact Mass: 439.07
• IUPAC Name: 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCn1ncc(Cl)c1C(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(C3CC3)c12
• InChI: InChI=1S/C18H16ClF2N5O2S/c1-2-26-13(9(19)6-23-26)17(28)25-12-11-8(7-3-4-7)5-10(15(20)21)24-18(11)29-14(12)16(22)27/h5-7,15H,2-4H2,1H3,(H2,22,27)(H,25,28)
• InChIKey: QTZZIMUUHIUZSC-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 102.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.88
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19477347) is 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(C3CC3)c12.

What is the InChIKey of 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is QTZZIMUUHIUZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N5O2S/c1-2-26-13(9(19)6-23-26)17(28)25-12-11-8(7-3-4-7)5-10(15(20)21)24-18(11)29-14(12)16(22)27/h5-7,15H,2-4H2,1H3,(H2,22,27)(H,25,28).

What are the key properties of 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19477347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).