7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C20H25N5O — CID 156586557

IUPAC7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCC(CCc1c[nH]c2ccccc12)N1CCc2nc(C(N)=O)cn2CC1
InChIInChI=1S/C20H25N5O/c1-14(6-7-15-12-22-17-5-3-2-4-16(15)17)24-9-8-19-23-18(20(21)26)13-25(19)11-10-24/h2-5,12-14,22H,6-11H2,1H3,(H2,21,26)
InChIKeyUTMYNRCHOVSVPA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.34
Rot. Bonds5

About 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 156586557) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID156586557
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCC(CCc1c[nH]c2ccccc12)N1CCc2nc(C(N)=O)cn2CC1
InChIInChI=1S/C20H25N5O/c1-14(6-7-15-12-22-17-5-3-2-4-16(15)17)24-9-8-19-23-18(20(21)26)13-25(19)11-10-24/h2-5,12-14,22H,6-11H2,1H3,(H2,21,26)
InChIKeyUTMYNRCHOVSVPA-UHFFFAOYSA-N
XLogP2.34
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 126454153
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole
CID 15068996
formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one
CID 154919066
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
8-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233132
methyl 2-[8-[4-(1H-indol-3-yl)butan-2-yl]-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45161323
(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124969435
4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one
CID 158100790
4-(1H-indol-3-yl)butanamide
CID 588715

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 156586557) is 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is CC(CCc1c[nH]c2ccccc12)N1CCc2nc(C(N)=O)cn2CC1.
What is the InChIKey of 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is UTMYNRCHOVSVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14(6-7-15-12-22-17-5-3-2-4-16(15)17)24-9-8-19-23-18(20(21)26)13-25(19)11-10-24/h2-5,12-14,22H,6-11H2,1H3,(H2,21,26).
What are the key properties of 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 156586557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).