cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide

C21H17FN4O — CID 71128103

IUPACcis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1
InChIInChI=1S/C21H17FN4O/c1-11-2-5-18-16(10-24-26-18)20(11)13-4-3-12-7-19(23-9-14(12)6-13)25-21(27)15-8-17(15)22/h2-7,9-10,15,17H,8H2,1H3,(H,24,26)(H,23,25,27)/t15-,17+/m1/s1
InChIKeyINDJTDRRAPMRRR-WBVHZDCISA-N
MW360.39 g/mol
LogP4.38
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide (PubChem CID 71128103) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide
PubChem CID71128103
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Namecis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1
InChIInChI=1S/C21H17FN4O/c1-11-2-5-18-16(10-24-26-18)20(11)13-4-3-12-7-19(23-9-14(12)6-13)25-21(27)15-8-17(15)22/h2-7,9-10,15,17H,8H2,1H3,(H,24,26)(H,23,25,27)/t15-,17+/m1/s1
InChIKeyINDJTDRRAPMRRR-WBVHZDCISA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

Lorecivivint
CID 135565709
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
(1R,2S)-1'-methyl-2-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58486297
N-[6-(1H-indol-5-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539595
Benzamide, 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-
CID 23657635
3-({4-[(7-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138046
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
5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166633307
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea
CID 11610420
3-(cyclohexylmethyl)-5-(1H-indazol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985365
N4-(7-(naphthalen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224666

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide (CID 71128103) is cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide is Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is INDJTDRRAPMRRR-WBVHZDCISA-N. The full InChI is InChI=1S/C21H17FN4O/c1-11-2-5-18-16(10-24-26-18)20(11)13-4-3-12-7-19(23-9-14(12)6-13)25-21(27)15-8-17(15)22/h2-7,9-10,15,17H,8H2,1H3,(H,24,26)(H,23,25,27)/t15-,17+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71128103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).