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

C20H15F4N5O — CID 164718036

IUPACcis-(1S,2S)-N-[5-[7-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(F)c(C(F)F)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C20H15F4N5O/c1-8-15(12-7-25-27-18(12)16(17(8)22)19(23)24)9-2-3-29-10(4-9)5-14(28-29)26-20(30)11-6-13(11)21/h2-5,7,11,13,19H,6H2,1H3,(H,25,27)(H,26,28,30)/t11-,13+/m1/s1
InChIKeyXHPFPIRBZYTXHF-YPMHNXCESA-N
MW417.37 g/mol
LogP4.56
Rot. Bonds4

About cis-(1S,2S)-N-[5-[7-(difluoromethyl)-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-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718036) has the molecular formula C20H15F4N5O and a molecular weight of 417.37 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[7-(difluoromethyl)-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-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718036
Molecular FormulaC20H15F4N5O
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC Namecis-(1S,2S)-N-[5-[7-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(F)c(C(F)F)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C20H15F4N5O/c1-8-15(12-7-25-27-18(12)16(17(8)22)19(23)24)9-2-3-29-10(4-9)5-14(28-29)26-20(30)11-6-13(11)21/h2-5,7,11,13,19H,6H2,1H3,(H,25,27)(H,26,28,30)/t11-,13+/m1/s1
InChIKeyXHPFPIRBZYTXHF-YPMHNXCESA-N
XLogP4.56
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide
CID 163215261
N-[6-(1H-indol-5-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539595
N-[6-(1H-pyrrol-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539608
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine
CID 166629046
6-(3-fluoro-2-methyl-4-pyridinyl)-5-methyl-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166631634
5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166633307
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide
CID 118560488
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-5-yl)acetamide
CID 118560588
N-[6-[3,5-dimethyl-1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215254
2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215256

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-[7-(difluoromethyl)-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-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718036) is cis-(1S,2S)-N-[5-[7-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1c(F)c(C(F)F)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-N-[5-[7-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is XHPFPIRBZYTXHF-YPMHNXCESA-N. The full InChI is InChI=1S/C20H15F4N5O/c1-8-15(12-7-25-27-18(12)16(17(8)22)19(23)24)9-2-3-29-10(4-9)5-14(28-29)26-20(30)11-6-13(11)21/h2-5,7,11,13,19H,6H2,1H3,(H,25,27)(H,26,28,30)/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[7-(difluoromethyl)-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-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 417.37 g/mol, XLogP of 4.56, 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-[7-(difluoromethyl)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).