7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C18H19N5O3 — CID 155909473

IUPAC7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N3CCc4nc(C(N)=O)cn4CC3)cc12
InChIInChI=1S/C18H19N5O3/c1-26-15-4-2-3-12-11(15)9-13(20-12)18(25)22-6-5-16-21-14(17(19)24)10-23(16)8-7-22/h2-4,9-10,20H,5-8H2,1H3,(H2,19,24)
InChIKeyVJZDNBATEJYNIQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.17
Rot. Bonds3

About 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155909473) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155909473
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N3CCc4nc(C(N)=O)cn4CC3)cc12
InChIInChI=1S/C18H19N5O3/c1-26-15-4-2-3-12-11(15)9-13(20-12)18(25)22-6-5-16-21-14(17(19)24)10-23(16)8-7-22/h2-4,9-10,20H,5-8H2,1H3,(H2,19,24)
InChIKeyVJZDNBATEJYNIQ-UHFFFAOYSA-N
XLogP1.17
TPSA106.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide with MolForge

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Related Compounds

(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576350
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086604
(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 167076958
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 92565758
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
7-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155914388
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
(4,7-dimethoxy-1H-indol-2-yl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 71826365
(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
CID 166840060

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155909473) is 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is COc1cccc2[nH]c(C(=O)N3CCc4nc(C(N)=O)cn4CC3)cc12.
What is the InChIKey of 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is VJZDNBATEJYNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-15-4-2-3-12-11(15)9-13(20-12)18(25)22-6-5-16-21-14(17(19)24)10-23(16)8-7-22/h2-4,9-10,20H,5-8H2,1H3,(H2,19,24).
What are the key properties of 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155909473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).