6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide

C24H21ClF2N8O2 — CID 139371617

About 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide

6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 139371617) has the molecular formula C24H21ClF2N8O2 and a molecular weight of 526.94 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide
• PubChem CID: 139371617
• Molecular Formula: C24H21ClF2N8O2
• Molecular Weight: 526.94 g/mol
• Exact Mass: 526.14
• IUPAC Name: 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide
• SMILES: C=CCNC(=O)c1c(NC(=O)c2cc(N3CC(F)(F)C3)nn2-c2ncccc2Cl)c(C)cc2ccnn12
• InChI: InChI=1S/C24H21ClF2N8O2/c1-3-7-29-23(37)20-19(14(2)10-15-6-9-30-34(15)20)31-22(36)17-11-18(33-12-24(26,27)13-33)32-35(17)21-16(25)5-4-8-28-21/h3-6,8-11H,1,7,12-13H2,2H3,(H,29,37)(H,31,36)
• InChIKey: JZADDESPCRYKED-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.94
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide?

The IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide (CID 139371617) is 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide.

What is the SMILES notation for 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide?

The canonical SMILES for 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide is C=CCNC(=O)c1c(NC(=O)c2cc(N3CC(F)(F)C3)nn2-c2ncccc2Cl)c(C)cc2ccnn12.

What is the InChIKey of 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide?

The InChIKey is JZADDESPCRYKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N8O2/c1-3-7-29-23(37)20-19(14(2)10-15-6-9-30-34(15)20)31-22(36)17-11-18(33-12-24(26,27)13-33)32-35(17)21-16(25)5-4-8-28-21/h3-6,8-11H,1,7,12-13H2,2H3,(H,29,37)(H,31,36).

What are the key properties of 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide?

6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 526.94 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 139371617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).