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

C20H15F2N5O — CID 164718384

IUPACcis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=Cc1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C20H15F2N5O/c1-2-12-16(22)8-17-14(9-23-25-17)19(12)10-3-4-27-11(5-10)6-18(26-27)24-20(28)13-7-15(13)21/h2-6,8-9,13,15H,1,7H2,(H,23,25)(H,24,26,28)/t13-,15+/m1/s1
InChIKeyJFSYETBHMFPGER-HIFRSBDPSA-N
MW379.37 g/mol
LogP3.96
Rot. Bonds4

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

cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718384) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718384
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Namecis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=Cc1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C20H15F2N5O/c1-2-12-16(22)8-17-14(9-23-25-17)19(12)10-3-4-27-11(5-10)6-18(26-27)24-20(28)13-7-15(13)21/h2-6,8-9,13,15H,1,7H2,(H,23,25)(H,24,26,28)/t13-,15+/m1/s1
InChIKeyJFSYETBHMFPGER-HIFRSBDPSA-N
XLogP3.96
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide
CID 164718073
cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 164987048
cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5,7-dimethyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 165071369
N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707330
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-pyrrol-1-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520334
cis-(1S,2S)-N-[5-(7-ethoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718123
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-pyrrolidin-1-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718281
N-[5-[7-[acetyl(methyl)amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707250
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(3-fluoro-3-methylazetidin-1-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718290
cis-(1S,2S)-N-[5-[7-[[4-(dimethylamino)cyclohexyl]-methylamino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 167002538
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 165070262
cis-(1S,2S)-N-[5-[5-chloro-7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718261

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-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-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718384) is cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-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-ethenyl-6-fluoro-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-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is C=Cc1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is JFSYETBHMFPGER-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-2-12-16(22)8-17-14(9-23-25-17)19(12)10-3-4-27-11(5-10)6-18(26-27)24-20(28)13-7-15(13)21/h2-6,8-9,13,15H,1,7H2,(H,23,25)(H,24,26,28)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).