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

C21H18ClF2N5O2 — CID 164520267

IUPACcis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(C)Oc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H18ClF2N5O2/c1-9(2)31-20-18(24)17(22)16(13-8-25-27-19(13)20)10-3-4-29-11(5-10)6-15(28-29)26-21(30)12-7-14(12)23/h3-6,8-9,12,14H,7H2,1-2H3,(H,25,27)(H,26,28,30)/t12-,14+/m1/s1
InChIKeySFZUAQICZMTBPP-OCCSQVGLSA-N
MW445.86 g/mol
LogP4.75
Rot. Bonds5

About cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-propan-2-yloxy-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-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520267) has the molecular formula C21H18ClF2N5O2 and a molecular weight of 445.86 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-propan-2-yloxy-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-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520267
Molecular FormulaC21H18ClF2N5O2
Molecular Weight445.86 g/mol
Exact Mass445.11
IUPAC Namecis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(C)Oc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H18ClF2N5O2/c1-9(2)31-20-18(24)17(22)16(13-8-25-27-19(13)20)10-3-4-29-11(5-10)6-15(28-29)26-21(30)12-7-14(12)23/h3-6,8-9,12,14H,7H2,1-2H3,(H,25,27)(H,26,28,30)/t12-,14+/m1/s1
InChIKeySFZUAQICZMTBPP-OCCSQVGLSA-N
XLogP4.75
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-propan-2-yloxy-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-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520267) is cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-propan-2-yloxy-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-propan-2-yloxy-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-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(C)Oc1c(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-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SFZUAQICZMTBPP-OCCSQVGLSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2/c1-9(2)31-20-18(24)17(22)16(13-8-25-27-19(13)20)10-3-4-29-11(5-10)6-15(28-29)26-21(30)12-7-14(12)23/h3-6,8-9,12,14H,7H2,1-2H3,(H,25,27)(H,26,28,30)/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-propan-2-yloxy-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-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 445.86 g/mol, XLogP of 4.75, 5 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-(5-chloro-6-fluoro-7-propan-2-yloxy-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).