(2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C20H24N4O2 — CID 99976366

IUPAC(2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1[nH]c2c(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)cccc2c1C
InChIInChI=1S/C20H24N4O2/c1-12-13(2)21-19-16(12)6-4-7-17(19)20(26)23-8-5-9-24-15(11-23)10-18(22-24)14(3)25/h4,6-7,10,14,21,25H,5,8-9,11H2,1-3H3/t14-/m1/s1
InChIKeyNSZSWWFEGYRBQA-CQSZACIVSA-N
MW352.44 g/mol
LogP3.08
Rot. Bonds2

About (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

(2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 99976366) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID99976366
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1[nH]c2c(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)cccc2c1C
InChIInChI=1S/C20H24N4O2/c1-12-13(2)21-19-16(12)6-4-7-17(19)20(26)23-8-5-9-24-15(11-23)10-18(22-24)14(3)25/h4,6-7,10,14,21,25H,5,8-9,11H2,1-3H3/t14-/m1/s1
InChIKeyNSZSWWFEGYRBQA-CQSZACIVSA-N
XLogP3.08
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(1S)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 99971901
4-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1,3-dihydroimidazol-2-one
CID 99974530
[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 90654028
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 99974195
(2,3-dimethyl-1H-indol-7-yl)-thiomorpholin-4-ylmethanone
CID 87019766
(2,3-dimethyl-1H-indol-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
5-[3-[2-[(1S)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 99994760
(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide
CID 94365647
4,4,4-trifluoro-1-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one
CID 90648288
(3,5-dimethylphenyl)methyl 2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 158098858
(2,3-dimethyl-1H-indol-7-yl)-[4-(3-thiophen-2-ylbutan-2-yl)piperazin-1-yl]methanone
CID 22017548

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 99976366) is (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Cc1[nH]c2c(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)cccc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is NSZSWWFEGYRBQA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-13(2)21-19-16(12)6-4-7-17(19)20(26)23-8-5-9-24-15(11-23)10-18(22-24)14(3)25/h4,6-7,10,14,21,25H,5,8-9,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
(2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-7-yl)-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 99976366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).