[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C25H28N4O — CID 155952398

IUPAC[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCc3c(-c4ccccc4)cccc32)C(c2cnn(C)c2)C1
InChIInChI=1S/C25H28N4O/c1-27-13-11-22(23(17-27)19-15-26-28(2)16-19)25(30)29-14-12-21-20(9-6-10-24(21)29)18-7-4-3-5-8-18/h3-10,15-16,22-23H,11-14,17H2,1-2H3
InChIKeyGMDSLCLTSYCIFA-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.71
Rot. Bonds3

About [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 155952398) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID155952398
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCc3c(-c4ccccc4)cccc32)C(c2cnn(C)c2)C1
InChIInChI=1S/C25H28N4O/c1-27-13-11-22(23(17-27)19-15-26-28(2)16-19)25(30)29-14-12-21-20(9-6-10-24(21)29)18-7-4-3-5-8-18/h3-10,15-16,22-23H,11-14,17H2,1-2H3
InChIKeyGMDSLCLTSYCIFA-UHFFFAOYSA-N
XLogP3.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 129398640
(4-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 174895867
[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 174921139
(4-methyl-2,3-dihydroquinoxalin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120939752
formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 174951515
methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 97009904
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124743790
tert-butyl (2S)-2-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 140885141
[(3S)-3-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124880964
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate
CID 122135010
(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120929229

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 155952398) is [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is CN1CCC(C(=O)N2CCc3c(-c4ccccc4)cccc32)C(c2cnn(C)c2)C1.
What is the InChIKey of [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is GMDSLCLTSYCIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-27-13-11-22(23(17-27)19-15-26-28(2)16-19)25(30)29-14-12-21-20(9-6-10-24(21)29)18-7-4-3-5-8-18/h3-10,15-16,22-23H,11-14,17H2,1-2H3.
What are the key properties of [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 400.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 155952398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).