tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate

C24H24ClF2N7O3 — CID 164718050

About tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate

tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate (PubChem CID 164718050) has the molecular formula C24H24ClF2N7O3 and a molecular weight of 531.95 g/mol. Its IUPAC name is tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate
• PubChem CID: 164718050
• Molecular Formula: C24H24ClF2N7O3
• Molecular Weight: 531.95 g/mol
• Exact Mass: 531.16
• IUPAC Name: tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate
• SMILES: CN(Nc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12)C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H24ClF2N7O3/c1-24(2,3)37-23(36)33(4)32-21-19(27)18(25)17(14-10-28-30-20(14)21)11-5-6-34-12(7-11)8-16(31-34)29-22(35)13-9-15(13)26/h5-8,10,13,15,32H,9H2,1-4H3,(H,28,30)(H,29,31,35)/t13-,15+/m1/s1
• InChIKey: WWOCGIFALDFMNI-HIFRSBDPSA-N
• XLogP: 5.16
• TPSA: 116.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.95
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate (CID 164718050) is tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate is CN(Nc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate?

The InChIKey is WWOCGIFALDFMNI-HIFRSBDPSA-N. The full InChI is InChI=1S/C24H24ClF2N7O3/c1-24(2,3)37-23(36)33(4)32-21-19(27)18(25)17(14-10-28-30-20(14)21)11-5-6-34-12(7-11)8-16(31-34)29-22(35)13-9-15(13)26/h5-8,10,13,15,32H,9H2,1-4H3,(H,28,30)(H,29,31,35)/t13-,15+/m1/s1.

What are the key properties of tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate?

tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate has a molecular weight of 531.95 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate is sourced from PubChem (CID 164718050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).