6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H21FN6O2 — CID 24676739

IUPAC6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3nnc4n3CCCCC4)c12
InChIInChI=1S/C22H21FN6O2/c1-13-20-15(11-17(25-22(20)31-28-13)14-7-4-5-8-16(14)23)21(30)24-12-19-27-26-18-9-3-2-6-10-29(18)19/h4-5,7-8,11H,2-3,6,9-10,12H2,1H3,(H,24,30)
InChIKeyYWPSNVWBYYYVAN-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.59
Rot. Bonds4

About 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24676739) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24676739
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3nnc4n3CCCCC4)c12
InChIInChI=1S/C22H21FN6O2/c1-13-20-15(11-17(25-22(20)31-28-13)14-7-4-5-8-16(14)23)21(30)24-12-19-27-26-18-9-3-2-6-10-29(18)19/h4-5,7-8,11H,2-3,6,9-10,12H2,1H3,(H,24,30)
InChIKeyYWPSNVWBYYYVAN-UHFFFAOYSA-N
XLogP3.59
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46537576
N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 37178037
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 47016894
6-(4-fluorophenyl)-3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26063219
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(2-fluorophenyl)benzamide
CID 131926590
6-chloro-2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinoline-3-carboxamide
CID 46975953
6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166198929
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 29406154
2-ethoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 46447238
phenyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24603258
2,3,5,6-tetramethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 46999266
2-naphthalen-2-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 46524881

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24676739) is 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3nnc4n3CCCCC4)c12.
What is the InChIKey of 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YWPSNVWBYYYVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-13-20-15(11-17(25-22(20)31-28-13)14-7-4-5-8-16(14)23)21(30)24-12-19-27-26-18-9-3-2-6-10-29(18)19/h4-5,7-8,11H,2-3,6,9-10,12H2,1H3,(H,24,30).
What are the key properties of 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24676739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).