6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide

C26H26ClN7O3S — CID 155230117

About 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide

6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 155230117) has the molecular formula C26H26ClN7O3S and a molecular weight of 552.06 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• PubChem CID: 155230117
• Molecular Formula: C26H26ClN7O3S
• Molecular Weight: 552.06 g/mol
• Exact Mass: 551.15
• IUPAC Name: 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• SMILES: Cc1cc2ccnn2c(C(=O)NC(C)C2CC2)c1NC(=O)c1cc(OC2CSC2)nn1-c1ncccc1Cl
• InChI: InChI=1S/C26H26ClN7O3S/c1-14-10-17-7-9-29-33(17)23(26(36)30-15(2)16-5-6-16)22(14)31-25(35)20-11-21(37-18-12-38-13-18)32-34(20)24-19(27)4-3-8-28-24/h3-4,7-11,15-16,18H,5-6,12-13H2,1-2H3,(H,30,36)(H,31,35)
• InChIKey: PQHSSMTVGIVIAC-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.06
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

The IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide (CID 155230117) is 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide.

What is the SMILES notation for 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

The canonical SMILES for 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide is Cc1cc2ccnn2c(C(=O)NC(C)C2CC2)c1NC(=O)c1cc(OC2CSC2)nn1-c1ncccc1Cl.

What is the InChIKey of 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

The InChIKey is PQHSSMTVGIVIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O3S/c1-14-10-17-7-9-29-33(17)23(26(36)30-15(2)16-5-6-16)22(14)31-25(35)20-11-21(37-18-12-38-13-18)32-34(20)24-19(27)4-3-8-28-24/h3-4,7-11,15-16,18H,5-6,12-13H2,1-2H3,(H,30,36)(H,31,35).

What are the key properties of 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 552.06 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carbonyl]amino]-N-(1-cyclopropylethyl)-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 155230117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).