N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide

C20H24N4O2 — CID 155961326

IUPACN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)C1CCc2nccn2CC1
InChIInChI=1S/C20H24N4O2/c25-13-16(11-15-12-22-18-4-2-1-3-17(15)18)23-20(26)14-5-6-19-21-8-10-24(19)9-7-14/h1-4,8,10,12,14,16,22,25H,5-7,9,11,13H2,(H,23,26)
InChIKeyMNHCNAZRWNJYHB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.04
Rot. Bonds5

About N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide (PubChem CID 155961326) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide
PubChem CID155961326
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)C1CCc2nccn2CC1
InChIInChI=1S/C20H24N4O2/c25-13-16(11-15-12-22-18-4-2-1-3-17(15)18)23-20(26)14-5-6-19-21-8-10-24(19)9-7-14/h1-4,8,10,12,14,16,22,25H,5-7,9,11,13H2,(H,23,26)
InChIKeyMNHCNAZRWNJYHB-UHFFFAOYSA-N
XLogP2.04
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124625161
N-[(2R)-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylpiperidine-4-carboxamide
CID 10229437
3-(1H-indol-3-yl)-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
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2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110286467
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 71024265
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CID 75515213
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
1-(2-chloro-7H-purin-6-yl)-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]piperidine-4-carboxamide
CID 40900686
3-(1H-indol-3-yl)-2-(thiane-4-carbonylamino)propanoic acid
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2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
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N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]-4-methylcyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide?
The IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide (CID 155961326) is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide.
What is the SMILES notation for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide?
The canonical SMILES for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide is O=C(NC(CO)Cc1c[nH]c2ccccc12)C1CCc2nccn2CC1.
What is the InChIKey of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide?
The InChIKey is MNHCNAZRWNJYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-13-16(11-15-12-22-18-4-2-1-3-17(15)18)23-20(26)14-5-6-19-21-8-10-24(19)9-7-14/h1-4,8,10,12,14,16,22,25H,5-7,9,11,13H2,(H,23,26).
What are the key properties of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide?
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide is sourced from PubChem (CID 155961326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).