N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C19H21N3O2 — CID 166197058

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCOc1ccc2c(c1)C(NCc1cn3ccccc3n1)CCCO2
InChIInChI=1S/C19H21N3O2/c1-23-15-7-8-18-16(11-15)17(5-4-10-24-18)20-12-14-13-22-9-3-2-6-19(22)21-14/h2-3,6-9,11,13,17,20H,4-5,10,12H2,1H3
InChIKeyWVAKSIBDCFYWMR-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.35
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 166197058) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID166197058
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCOc1ccc2c(c1)C(NCc1cn3ccccc3n1)CCCO2
InChIInChI=1S/C19H21N3O2/c1-23-15-7-8-18-16(11-15)17(5-4-10-24-18)20-12-14-13-22-9-3-2-6-19(22)21-14/h2-3,6-9,11,13,17,20H,4-5,10,12H2,1H3
InChIKeyWVAKSIBDCFYWMR-UHFFFAOYSA-N
XLogP3.35
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine with MolForge

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Related Compounds

7-methoxy-N-[[4-(2-methoxyethoxy)-2-pyridinyl]methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 166275484
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43411250
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
CID 119142839
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62088229
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)piperidin-2-one
CID 62092514
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 106370657
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylcyclopropan-1-amine
CID 62398148
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyloxan-4-amine
CID 103888013

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 166197058) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is COc1ccc2c(c1)C(NCc1cn3ccccc3n1)CCCO2.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is WVAKSIBDCFYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-15-7-8-18-16(11-15)17(5-4-10-24-18)20-12-14-13-22-9-3-2-6-19(22)21-14/h2-3,6-9,11,13,17,20H,4-5,10,12H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 323.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 166197058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).