(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H23N5O3 — CID 126451586

IUPAC(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)c1cc2n(n1)C[C@@H](O)CNC2=O
InChIInChI=1S/C19H23N5O3/c25-14-11-21-19(27)17-10-15(22-24(17)12-14)18(26)20-7-3-8-23-9-6-13-4-1-2-5-16(13)23/h1-2,4-5,10,14,25H,3,6-9,11-12H2,(H,20,26)(H,21,27)/t14-/m0/s1
InChIKeyBSOXBSGPYAMBEQ-AWEZNQCLSA-N
MW369.43 g/mol
LogP0.17
Rot. Bonds5

About (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 126451586) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID126451586
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)c1cc2n(n1)C[C@@H](O)CNC2=O
InChIInChI=1S/C19H23N5O3/c25-14-11-21-19(27)17-10-15(22-24(17)12-14)18(26)20-7-3-8-23-9-6-13-4-1-2-5-16(13)23/h1-2,4-5,10,14,25H,3,6-9,11-12H2,(H,20,26)(H,21,27)/t14-/m0/s1
InChIKeyBSOXBSGPYAMBEQ-AWEZNQCLSA-N
XLogP0.17
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 126427816
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
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N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
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N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
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CID 135088020
7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135097153
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
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3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
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2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
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3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
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N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 126451586) is (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is O=C(NCCCN1CCc2ccccc21)c1cc2n(n1)C[C@@H](O)CNC2=O.
What is the InChIKey of (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is BSOXBSGPYAMBEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-14-11-21-19(27)17-10-15(22-24(17)12-14)18(26)20-7-3-8-23-9-6-13-4-1-2-5-16(13)23/h1-2,4-5,10,14,25H,3,6-9,11-12H2,(H,20,26)(H,21,27)/t14-/m0/s1.
What are the key properties of (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 126451586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).