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

C19H13ClF2N6O2 — CID 164718258

IUPAC5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide
SMILESNC(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C19H13ClF2N6O2/c20-15-13(10-6-24-26-17(10)14(16(15)22)18(23)29)7-1-2-28-8(3-7)4-12(27-28)25-19(30)9-5-11(9)21/h1-4,6,9,11H,5H2,(H2,23,29)(H,24,26)(H,25,27,30)/t9-,11+/m1/s1
InChIKeyNUYYEHPGLZCBNP-KOLCDFICSA-N
MW430.80 g/mol
LogP3.07
Rot. Bonds4

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

5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide (PubChem CID 164718258) has the molecular formula C19H13ClF2N6O2 and a molecular weight of 430.80 g/mol. Its IUPAC name is 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide
PubChem CID164718258
Molecular FormulaC19H13ClF2N6O2
Molecular Weight430.80 g/mol
Exact Mass430.08
IUPAC Name5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide
SMILESNC(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C19H13ClF2N6O2/c20-15-13(10-6-24-26-17(10)14(16(15)22)18(23)29)7-1-2-28-8(3-7)4-12(27-28)25-19(30)9-5-11(9)21/h1-4,6,9,11H,5H2,(H2,23,29)(H,24,26)(H,25,27,30)/t9-,11+/m1/s1
InChIKeyNUYYEHPGLZCBNP-KOLCDFICSA-N
XLogP3.07
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.80
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide (CID 164718258) is 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide is NC(=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-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide?
The InChIKey is NUYYEHPGLZCBNP-KOLCDFICSA-N. The full InChI is InChI=1S/C19H13ClF2N6O2/c20-15-13(10-6-24-26-17(10)14(16(15)22)18(23)29)7-1-2-28-8(3-7)4-12(27-28)25-19(30)9-5-11(9)21/h1-4,6,9,11H,5H2,(H2,23,29)(H,24,26)(H,25,27,30)/t9-,11+/m1/s1.
What are the key properties of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide?
5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide has a molecular weight of 430.80 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 164718258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).