2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone

C18H21N3O2 — CID 129003480

IUPAC2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)N2CCc3ccccc32)cnn1C
InChIInChI=1S/C18H21N3O2/c1-12-15(11-19-20(12)2)17-14(8-10-23-17)18(22)21-9-7-13-5-3-4-6-16(13)21/h3-6,11,14,17H,7-10H2,1-2H3/t14-,17-/m0/s1
InChIKeyNAVOCDPPVPGURV-YOEHRIQHSA-N
MW311.38 g/mol
LogP2.40
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone

2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone (PubChem CID 129003480) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone
PubChem CID129003480
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone
SMILESCc1c([C@H]2OCC[C@@H]2C(=O)N2CCc3ccccc32)cnn1C
InChIInChI=1S/C18H21N3O2/c1-12-15(11-19-20(12)2)17-14(8-10-23-17)18(22)21-9-7-13-5-3-4-6-16(13)21/h3-6,11,14,17H,7-10H2,1-2H3/t14-,17-/m0/s1
InChIKeyNAVOCDPPVPGURV-YOEHRIQHSA-N
XLogP2.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 128973434
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
CID 129327175
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966683
2,3-dihydroindol-1-yl-[(1S,2S,4S)-7-(5-methyl-1,3-oxazole-4-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 124731961
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
(2S,3S)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966483

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone (CID 129003480) is 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone is Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCc3ccccc32)cnn1C.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone?
The InChIKey is NAVOCDPPVPGURV-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-15(11-19-20(12)2)17-14(8-10-23-17)18(22)21-9-7-13-5-3-4-6-16(13)21/h3-6,11,14,17H,7-10H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone?
2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]methanone is sourced from PubChem (CID 129003480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).