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

C23H21ClF2N6O2 — CID 164520431

IUPACcis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCC(=O)NC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C23H21ClF2N6O2/c1-3-17(33)28-10(2)18-21(26)20(24)19(14-9-27-30-22(14)18)11-4-5-32-12(6-11)7-16(31-32)29-23(34)13-8-15(13)25/h4-7,9-10,13,15H,3,8H2,1-2H3,(H,27,30)(H,28,33)(H,29,31,34)/t10?,13-,15+/m1/s1
InChIKeyQYNFLGVDJUJQQM-AFGDWVFNSA-N
MW486.91 g/mol
LogP4.55
Rot. Bonds6

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

cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520431) has the molecular formula C23H21ClF2N6O2 and a molecular weight of 486.91 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520431
Molecular FormulaC23H21ClF2N6O2
Molecular Weight486.91 g/mol
Exact Mass486.14
IUPAC Namecis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCC(=O)NC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C23H21ClF2N6O2/c1-3-17(33)28-10(2)18-21(26)20(24)19(14-9-27-30-22(14)18)11-4-5-32-12(6-11)7-16(31-32)29-23(34)13-8-15(13)25/h4-7,9-10,13,15H,3,8H2,1-2H3,(H,27,30)(H,28,33)(H,29,31,34)/t10?,13-,15+/m1/s1
InChIKeyQYNFLGVDJUJQQM-AFGDWVFNSA-N
XLogP4.55
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.91
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-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-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520431) is cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-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-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCC(=O)NC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is QYNFLGVDJUJQQM-AFGDWVFNSA-N. The full InChI is InChI=1S/C23H21ClF2N6O2/c1-3-17(33)28-10(2)18-21(26)20(24)19(14-9-27-30-22(14)18)11-4-5-32-12(6-11)7-16(31-32)29-23(34)13-8-15(13)25/h4-7,9-10,13,15H,3,8H2,1-2H3,(H,27,30)(H,28,33)(H,29,31,34)/t10?,13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 486.91 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[1-(propanoylamino)ethyl]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).