N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C21H28N4O2 — CID 72911547

IUPACN,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)N(C)C)CCN(CC1CCOc3ccccc3C1)C2
InChIInChI=1S/C21H28N4O2/c1-15-20(21(26)23(2)3)25-10-9-24(14-19(25)22-15)13-16-8-11-27-18-7-5-4-6-17(18)12-16/h4-7,16H,8-14H2,1-3H3
InChIKeyBVHVLIFUPMSTKB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.35
Rot. Bonds3

About N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 72911547) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID72911547
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)N(C)C)CCN(CC1CCOc3ccccc3C1)C2
InChIInChI=1S/C21H28N4O2/c1-15-20(21(26)23(2)3)25-10-9-24(14-19(25)22-15)13-16-8-11-27-18-7-5-4-6-17(18)12-16/h4-7,16H,8-14H2,1-3H3
InChIKeyBVHVLIFUPMSTKB-UHFFFAOYSA-N
XLogP2.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97285403
1-[4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperazin-1-yl]ethanone
CID 97281274
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 134099257
3-[4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperazin-1-yl]propanamide
CID 97273648
1-pyrrolidin-1-yl-2-[4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperazin-1-yl]ethanone
CID 97280722
1-methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1,4-diazepane
CID 72905849
1-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperidin-4-amine
CID 97269079
methyl 5-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 97275095
2-(4,5-dimethylimidazol-1-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)acetamide
CID 72909617
1-(2-methoxyethyl)-4-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperazine
CID 72854815
4-[[1-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperidin-4-yl]methyl]morpholine
CID 97284836
4,4-difluoro-1-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperidine
CID 72897669

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 72911547) is N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is Cc1nc2n(c1C(=O)N(C)C)CCN(CC1CCOc3ccccc3C1)C2.
What is the InChIKey of N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is BVHVLIFUPMSTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-20(21(26)23(2)3)25-10-9-24(14-19(25)22-15)13-16-8-11-27-18-7-5-4-6-17(18)12-16/h4-7,16H,8-14H2,1-3H3.
What are the key properties of N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-7-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 72911547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).