N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine

C24H30N4O — CID 92595801

IUPACN-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)CN(Cc1c(C)nc3ccccn13)Cc1ccccc1O2
InChIInChI=1S/C24H30N4O/c1-18-21(28-14-6-5-9-23(28)26-18)16-27-15-19-7-3-4-8-22(19)29-24(17-27)12-10-20(25-2)11-13-24/h3-9,14,20,25H,10-13,15-17H2,1-2H3
InChIKeyRWJKRFVBRMPLRQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.94
Rot. Bonds3

About N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine

N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine (PubChem CID 92595801) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
PubChem CID92595801
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)CN(Cc1c(C)nc3ccccn13)Cc1ccccc1O2
InChIInChI=1S/C24H30N4O/c1-18-21(28-14-6-5-9-23(28)26-18)16-27-15-19-7-3-4-8-22(19)29-24(17-27)12-10-20(25-2)11-13-24/h3-9,14,20,25H,10-13,15-17H2,1-2H3
InChIKeyRWJKRFVBRMPLRQ-UHFFFAOYSA-N
XLogP3.94
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-imidazol-5-ylmethyl)-N-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
CID 92610258
N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
CID 110241837
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103838603
N-cyclohexyl-9-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
CID 155874996
(2-methoxy-3-methylphenyl)-[4'-(methylamino)spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-4-yl]methanone
CID 92561348
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclohexanamine
CID 43755994
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-ethyl-N-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
CID 124966819
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholin-2-yl]acetate
CID 84587348
1'-methyl-4-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]
CID 46965684
2-methyl-3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 95862606
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]thian-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
The IUPAC name of N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine (CID 92595801) is N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
The canonical SMILES for N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine is CNC1CCC2(CC1)CN(Cc1c(C)nc3ccccn13)Cc1ccccc1O2.
What is the InChIKey of N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
The InChIKey is RWJKRFVBRMPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-21(28-14-6-5-9-23(28)26-18)16-27-15-19-7-3-4-8-22(19)29-24(17-27)12-10-20(25-2)11-13-24/h3-9,14,20,25H,10-13,15-17H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine has a molecular weight of 390.53 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 92595801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).