4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one

C21H22ClN3O2 — CID 170610263

IUPAC4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
SMILESCc1ccc2c(-c3cnn(C4CCCCO4)c3)c3n(c2c1Cl)CC(=O)CC3
InChIInChI=1S/C21H22ClN3O2/c1-13-5-7-16-19(14-10-23-25(11-14)18-4-2-3-9-27-18)17-8-6-15(26)12-24(17)21(16)20(13)22/h5,7,10-11,18H,2-4,6,8-9,12H2,1H3
InChIKeyLRTDCUPWFXLDNH-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.68
Rot. Bonds2

About 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one

4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one (PubChem CID 170610263) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one.

Molecular Properties

Compound Name4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
PubChem CID170610263
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
SMILESCc1ccc2c(-c3cnn(C4CCCCO4)c3)c3n(c2c1Cl)CC(=O)CC3
InChIInChI=1S/C21H22ClN3O2/c1-13-5-7-16-19(14-10-23-25(11-14)18-4-2-3-9-27-18)17-8-6-15(26)12-24(17)21(16)20(13)22/h5,7,10-11,18H,2-4,6,8-9,12H2,1H3
InChIKeyLRTDCUPWFXLDNH-UHFFFAOYSA-N
XLogP4.68
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7,8-dichloro-11-[1-(oxan-2-yl)pyrazol-4-yl]-2,5-dihydro-1H-[1,4]diazepino[1,7-a]indol-4-one
CID 170550516
6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole-2-carboxylic acid
CID 170427452
ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate
CID 170426796
tert-butyl N-[[6,7-dichloro-1-methyl-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-2-yl]methyl]carbamate
CID 170610037
ethyl 6,7-dichloro-1-(5-ethoxy-5-oxopentyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]indole-2-carboxylate
CID 170427081
6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-2-(1H-1,2,4-triazol-5-yl)-1H-indole
CID 167136878
6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane
CID 170610110
1-(benzenesulfonyl)-6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 170427028
[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indol-2-yl]methylurea
CID 170427525
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-[1-(trimethylsilylmethyl)triazol-4-yl]indol-2-yl]methanol
CID 170550425

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
The IUPAC name of 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one (CID 170610263) is 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one.
What is the SMILES notation for 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
The canonical SMILES for 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one is Cc1ccc2c(-c3cnn(C4CCCCO4)c3)c3n(c2c1Cl)CC(=O)CC3.
What is the InChIKey of 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
The InChIKey is LRTDCUPWFXLDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-13-5-7-16-19(14-10-23-25(11-14)18-4-2-3-9-27-18)17-8-6-15(26)12-24(17)21(16)20(13)22/h5,7,10-11,18H,2-4,6,8-9,12H2,1H3.
What are the key properties of 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one?
4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one has a molecular weight of 383.88 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one is sourced from PubChem (CID 170610263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).