N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide

C21H21FN4O — CID 129104779

IUPACN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cc1C
InChIInChI=1S/C21H21FN4O/c1-13-10-18(23-11-14(13)2)21(27)25-17-7-5-9-19-15(17)12-24-26(19)20-8-4-3-6-16(20)22/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyYFYGTCYKGZKOHZ-QGZVFWFLSA-N
MW364.42 g/mol
LogP3.83
Rot. Bonds3

About N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide

N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide (PubChem CID 129104779) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
PubChem CID129104779
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cc1C
InChIInChI=1S/C21H21FN4O/c1-13-10-18(23-11-14(13)2)21(27)25-17-7-5-9-19-15(17)12-24-26(19)20-8-4-3-6-16(20)22/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyYFYGTCYKGZKOHZ-QGZVFWFLSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide (CID 129104779) is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cc1C.
What is the InChIKey of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
The InChIKey is YFYGTCYKGZKOHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-13-10-18(23-11-14(13)2)21(27)25-17-7-5-9-19-15(17)12-24-26(19)20-8-4-3-6-16(20)22/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide?
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 129104779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).