1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide

C25H29FN4O2S — CID 70343994

IUPAC1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide
SMILESCN1C(C)(C)c2ccccc2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O
InChIInChI=1S/C25H29FN4O2S/c1-25(2)22-6-4-5-7-24(22)30(33(31,32)28(25)3)15-14-29-12-10-18(11-13-29)21-17-27-23-16-19(26)8-9-20(21)23/h4-10,16-17,27H,11-15H2,1-3H3
InChIKeyFYBHPFOWMMICMP-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.33
Rot. Bonds4

About 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide

1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide (PubChem CID 70343994) has the molecular formula C25H29FN4O2S and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide.

Molecular Properties

Compound Name1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide
PubChem CID70343994
Molecular FormulaC25H29FN4O2S
Molecular Weight468.60 g/mol
Exact Mass468.20
IUPAC Name1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide
SMILESCN1C(C)(C)c2ccccc2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O
InChIInChI=1S/C25H29FN4O2S/c1-25(2)22-6-4-5-7-24(22)30(33(31,32)28(25)3)15-14-29-12-10-18(11-13-29)21-17-27-23-16-19(26)8-9-20(21)23/h4-10,16-17,27H,11-15H2,1-3H3
InChIKeyFYBHPFOWMMICMP-UHFFFAOYSA-N
XLogP4.33
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide with MolForge

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Related Compounds

1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,2-dioxo-3-propan-2-yl-4H-2lambda6,1,3-benzothiadiazin-6-amine
CID 15860400
1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one
CID 70288364
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18323653
3-[1-[2-(difluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 133297500
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
6-fluoro-3-[1-(3-methylsulfonyl-2-nitrophenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 133393578
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 112841616
3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one
CID 67601555

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide?
The IUPAC name of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide (CID 70343994) is 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide.
What is the SMILES notation for 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide?
The canonical SMILES for 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide is CN1C(C)(C)c2ccccc2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O.
What is the InChIKey of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide?
The InChIKey is FYBHPFOWMMICMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2S/c1-25(2)22-6-4-5-7-24(22)30(33(31,32)28(25)3)15-14-29-12-10-18(11-13-29)21-17-27-23-16-19(26)8-9-20(21)23/h4-10,16-17,27H,11-15H2,1-3H3.
What are the key properties of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide?
1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide has a molecular weight of 468.60 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide is sourced from PubChem (CID 70343994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).