5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide

C26H21F2N5O2 — CID 165385111

IUPAC5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(C#N)c2)c(OC2CC2)n1
InChIInChI=1S/C26H21F2N5O2/c1-33(14-17-3-2-16(11-27)22-13-30-32-24(17)22)26(34)23-7-6-21(25(31-23)35-20-4-5-20)18-8-15(12-29)9-19(28)10-18/h2-3,6-10,13,20H,4-5,11,14H2,1H3,(H,30,32)
InChIKeyMZPUAKSLDQVFIE-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.92
Rot. Bonds7

About 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide

5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 165385111) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide
PubChem CID165385111
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(C#N)c2)c(OC2CC2)n1
InChIInChI=1S/C26H21F2N5O2/c1-33(14-17-3-2-16(11-27)22-13-30-32-24(17)22)26(34)23-7-6-21(25(31-23)35-20-4-5-20)18-8-15(12-29)9-19(28)10-18/h2-3,6-10,13,20H,4-5,11,14H2,1H3,(H,30,32)
InChIKeyMZPUAKSLDQVFIE-UHFFFAOYSA-N
XLogP4.92
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide (CID 165385111) is 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(C#N)c2)c(OC2CC2)n1.
What is the InChIKey of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is MZPUAKSLDQVFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c1-33(14-17-3-2-16(11-27)22-13-30-32-24(17)22)26(34)23-7-6-21(25(31-23)35-20-4-5-20)18-8-15(12-29)9-19(28)10-18/h2-3,6-10,13,20H,4-5,11,14H2,1H3,(H,30,32).
What are the key properties of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide?
5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 165385111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).