5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide

C22H16ClF2N7O2 — CID 164718302

IUPAC5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide
SMILESCN(CC#N)C(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C22H16ClF2N7O2/c1-31(5-3-26)22(34)17-19(25)18(23)16(13-9-27-29-20(13)17)10-2-4-32-11(6-10)7-15(30-32)28-21(33)12-8-14(12)24/h2,4,6-7,9,12,14H,5,8H2,1H3,(H,27,29)(H,28,30,33)/t12-,14+/m1/s1
InChIKeySEQYVXNPFXJRFH-OCCSQVGLSA-N
MW483.87 g/mol
LogP3.56
Rot. Bonds5

About 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide

5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide (PubChem CID 164718302) has the molecular formula C22H16ClF2N7O2 and a molecular weight of 483.87 g/mol. Its IUPAC name is 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide
PubChem CID164718302
Molecular FormulaC22H16ClF2N7O2
Molecular Weight483.87 g/mol
Exact Mass483.10
IUPAC Name5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide
SMILESCN(CC#N)C(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C22H16ClF2N7O2/c1-31(5-3-26)22(34)17-19(25)18(23)16(13-9-27-29-20(13)17)10-2-4-32-11(6-10)7-15(30-32)28-21(33)12-8-14(12)24/h2,4,6-7,9,12,14H,5,8H2,1H3,(H,27,29)(H,28,30,33)/t12-,14+/m1/s1
InChIKeySEQYVXNPFXJRFH-OCCSQVGLSA-N
XLogP3.56
TPSA119.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.87
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
The IUPAC name of 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide (CID 164718302) is 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide is CN(CC#N)C(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
The InChIKey is SEQYVXNPFXJRFH-OCCSQVGLSA-N. The full InChI is InChI=1S/C22H16ClF2N7O2/c1-31(5-3-26)22(34)17-19(25)18(23)16(13-9-27-29-20(13)17)10-2-4-32-11(6-10)7-15(30-32)28-21(33)12-8-14(12)24/h2,4,6-7,9,12,14H,5,8H2,1H3,(H,27,29)(H,28,30,33)/t12-,14+/m1/s1.
What are the key properties of 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide has a molecular weight of 483.87 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyanomethyl)-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 164718302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).