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

C28H32N6O2 — CID 55556974

IUPAC[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3CCCC(c4nnc5n4CCCCC5)C3)nc12
InChIInChI=1S/C28H32N6O2/c1-20-9-7-14-32-18-22(29-26(20)32)19-36-24-12-5-4-11-23(24)28(35)33-15-8-10-21(17-33)27-31-30-25-13-3-2-6-16-34(25)27/h4-5,7,9,11-12,14,18,21H,2-3,6,8,10,13,15-17,19H2,1H3
InChIKeyGQJYVFAQRJDJKG-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.56
Rot. Bonds5

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

[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone (PubChem CID 55556974) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
PubChem CID55556974
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
SMILESCc1cccn2cc(COc3ccccc3C(=O)N3CCCC(c4nnc5n4CCCCC5)C3)nc12
InChIInChI=1S/C28H32N6O2/c1-20-9-7-14-32-18-22(29-26(20)32)19-36-24-12-5-4-11-23(24)28(35)33-15-8-10-21(17-33)27-31-30-25-13-3-2-6-16-34(25)27/h4-5,7,9,11-12,14,18,21H,2-3,6,8,10,13,15-17,19H2,1H3
InChIKeyGQJYVFAQRJDJKG-UHFFFAOYSA-N
XLogP4.56
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(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

[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119397448
N-[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-3-yl]methanesulfonamide
CID 55679342
[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24682976
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 120659124
[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36636036
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169426
(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
(2-anilinophenyl)-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 25332419
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 55503896
phenyl-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 74659521
[3-[4-(2-amino-4-bromo-3,5-difluorophenyl)triazol-1-yl]pyrrolidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 166352511
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55576530

Frequently Asked Questions

What is the IUPAC name of [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone (CID 55556974) is [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(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 [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone is Cc1cccn2cc(COc3ccccc3C(=O)N3CCCC(c4nnc5n4CCCCC5)C3)nc12.
What is the InChIKey of [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The InChIKey is GQJYVFAQRJDJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-20-9-7-14-32-18-22(29-26(20)32)19-36-24-12-5-4-11-23(24)28(35)33-15-8-10-21(17-33)27-31-30-25-13-3-2-6-16-34(25)27/h4-5,7,9,11-12,14,18,21H,2-3,6,8,10,13,15-17,19H2,1H3.
What are the key properties of [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(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 484.60 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(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 55556974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).