trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C19H15FN4O — CID 167772729

IUPACtrans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc2c(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)n[nH]c2cc1C#N
InChIInChI=1S/C19H15FN4O/c1-10-6-15-17(7-11(10)9-21)23-24-18(15)22-19(25)14-8-13(14)12-4-2-3-5-16(12)20/h2-7,13-14H,8H2,1H3,(H2,22,23,24,25)/t13-,14+/m0/s1
InChIKeyQTHXKUKSVALKSI-UONOGXRCSA-N
MW334.35 g/mol
LogP3.62
Rot. Bonds3

About trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 167772729) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID167772729
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Nametrans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc2c(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)n[nH]c2cc1C#N
InChIInChI=1S/C19H15FN4O/c1-10-6-15-17(7-11(10)9-21)23-24-18(15)22-19(25)14-8-13(14)12-4-2-3-5-16(12)20/h2-7,13-14H,8H2,1H3,(H2,22,23,24,25)/t13-,14+/m0/s1
InChIKeyQTHXKUKSVALKSI-UONOGXRCSA-N
XLogP3.62
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 167772729) is trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is Cc1cc2c(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)n[nH]c2cc1C#N.
What is the InChIKey of trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QTHXKUKSVALKSI-UONOGXRCSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-10-6-15-17(7-11(10)9-21)23-24-18(15)22-19(25)14-8-13(14)12-4-2-3-5-16(12)20/h2-7,13-14H,8H2,1H3,(H2,22,23,24,25)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167772729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).