cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C21H17F2N5O2 — CID 164718100

IUPACcis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)c1c(F)c(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H17F2N5O2/c1-9-17(14-8-24-26-20(14)18(10(2)29)19(9)23)11-3-4-28-12(5-11)6-16(27-28)25-21(30)13-7-15(13)22/h3-6,8,13,15H,7H2,1-2H3,(H,24,26)(H,25,27,30)/t13-,15+/m1/s1
InChIKeyWHYIONOXVIZVAF-HIFRSBDPSA-N
MW409.40 g/mol
LogP3.82
Rot. Bonds4

About cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718100) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718100
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Namecis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)c1c(F)c(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H17F2N5O2/c1-9-17(14-8-24-26-20(14)18(10(2)29)19(9)23)11-3-4-28-12(5-11)6-16(27-28)25-21(30)13-7-15(13)22/h3-6,8,13,15H,7H2,1-2H3,(H,24,26)(H,25,27,30)/t13-,15+/m1/s1
InChIKeyWHYIONOXVIZVAF-HIFRSBDPSA-N
XLogP3.82
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718100) is cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)c1c(F)c(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is WHYIONOXVIZVAF-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-9-17(14-8-24-26-20(14)18(10(2)29)19(9)23)11-3-4-28-12(5-11)6-16(27-28)25-21(30)13-7-15(13)22/h3-6,8,13,15H,7H2,1-2H3,(H,24,26)(H,25,27,30)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-(7-acetyl-6-fluoro-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).