[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone

C19H27N5O2 — CID 134710577

IUPAC[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCOc1c(C)cnc(CN2CCCN(C(=O)c3cncn3C)CC2)c1C
InChIInChI=1S/C19H27N5O2/c1-14-10-21-16(15(2)18(14)26-4)12-23-6-5-7-24(9-8-23)19(25)17-11-20-13-22(17)3/h10-11,13H,5-9,12H2,1-4H3
InChIKeyKVMKZXFJJCWYFL-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.79
Rot. Bonds4

About [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone

[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 134710577) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID134710577
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCOc1c(C)cnc(CN2CCCN(C(=O)c3cncn3C)CC2)c1C
InChIInChI=1S/C19H27N5O2/c1-14-10-21-16(15(2)18(14)26-4)12-23-6-5-7-24(9-8-23)19(25)17-11-20-13-22(17)3/h10-11,13H,5-9,12H2,1-4H3
InChIKeyKVMKZXFJJCWYFL-UHFFFAOYSA-N
XLogP1.79
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone with MolForge

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Related Compounds

1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepane
CID 63388026
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
(3-methylimidazol-4-yl)-[4-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134705814
[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 134698702
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]methanone
CID 172880976
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 56824166
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone (CID 134710577) is [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone is COc1c(C)cnc(CN2CCCN(C(=O)c3cncn3C)CC2)c1C.
What is the InChIKey of [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is KVMKZXFJJCWYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-10-21-16(15(2)18(14)26-4)12-23-6-5-7-24(9-8-23)19(25)17-11-20-13-22(17)3/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 357.46 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 134710577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).