(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone

C20H23FN6O — CID 72922602

IUPAC(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccn2c1F)N1CCC(c2nnc3n2CCCCC3)CC1
InChIInChI=1S/C20H23FN6O/c21-18-17(22-15-6-3-5-10-26(15)18)20(28)25-12-8-14(9-13-25)19-24-23-16-7-2-1-4-11-27(16)19/h3,5-6,10,14H,1-2,4,7-9,11-13H2
InChIKeyAAXNXHZGLFPAQC-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.81
Rot. Bonds2

About (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone

(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone (PubChem CID 72922602) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
PubChem CID72922602
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccn2c1F)N1CCC(c2nnc3n2CCCCC3)CC1
InChIInChI=1S/C20H23FN6O/c21-18-17(22-15-6-3-5-10-26(15)18)20(28)25-12-8-14(9-13-25)19-24-23-16-7-2-1-4-11-27(16)19/h3,5-6,10,14H,1-2,4,7-9,11-13H2
InChIKeyAAXNXHZGLFPAQC-UHFFFAOYSA-N
XLogP2.81
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 70756693
(4-methoxyphenyl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 92595107
2-phenyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 110235638
N-(2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 119060560
(2-fluorophenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 75870704
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 72904763
phenyl-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 74659521
(4-phenylphenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 16613326
2-methyl-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-4H-1,2,4-triazol-3-one
CID 162626095
6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 72935265
6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 155507797
quinolin-2-yl-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55488062

Frequently Asked Questions

What is the IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone (CID 72922602) is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone is O=C(c1nc2ccccn2c1F)N1CCC(c2nnc3n2CCCCC3)CC1.
What is the InChIKey of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The InChIKey is AAXNXHZGLFPAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-18-17(22-15-6-3-5-10-26(15)18)20(28)25-12-8-14(9-13-25)19-24-23-16-7-2-1-4-11-27(16)19/h3,5-6,10,14H,1-2,4,7-9,11-13H2.
What are the key properties of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone has a molecular weight of 382.44 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72922602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).