1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

C27H29N3OS — CID 178034712

IUPAC1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESCCn1c2ccc(CN3CC4(C3)CN(C(C)=O)C4)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C27H29N3OS/c1-4-30-24-8-5-20(12-28-14-27(15-28)16-29(17-27)19(3)31)10-23(24)22-7-6-21(11-25(22)30)26-9-18(2)13-32-26/h5-11,13H,4,12,14-17H2,1-3H3
InChIKeyYMVQLLRBDLMVEQ-UHFFFAOYSA-N
MW443.62 g/mol
LogP5.52
Rot. Bonds4

About 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 178034712) has the molecular formula C27H29N3OS and a molecular weight of 443.62 g/mol. Its IUPAC name is 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
PubChem CID178034712
Molecular FormulaC27H29N3OS
Molecular Weight443.62 g/mol
Exact Mass443.20
IUPAC Name1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESCCn1c2ccc(CN3CC4(C3)CN(C(C)=O)C4)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C27H29N3OS/c1-4-30-24-8-5-20(12-28-14-27(15-28)16-29(17-27)19(3)31)10-23(24)22-7-6-21(11-25(22)30)26-9-18(2)13-32-26/h5-11,13H,4,12,14-17H2,1-3H3
InChIKeyYMVQLLRBDLMVEQ-UHFFFAOYSA-N
XLogP5.52
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.62
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone with MolForge

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Related Compounds

tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate
CID 168958890
[(3S)-5-(4-chlorophenyl)-1-ethanimidoyl-3-[2-[9-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-6,7-dimethyl-3H-thieno[2,3-e][1,4]diazepin-2-ylidene]azanide
CID 178034575
3-[4-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]butylamino]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 168958623
3-[4-[[4-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]piperidin-1-yl]methyl]phenyl]-6-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
CID 166555414
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
1-[8-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449081
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
2-(4-butylphenyl)-9-ethyl-6-methylcarbazole
CID 174691322
1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 6733236
2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
CID 7092357
2-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]-2-fluorophenoxy]-N-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethyl]acetamide
CID 171506654
6-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]-N-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]hexanamide
CID 178034762

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The IUPAC name of 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (CID 178034712) is 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.
What is the SMILES notation for 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The canonical SMILES for 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is CCn1c2ccc(CN3CC4(C3)CN(C(C)=O)C4)cc2c2ccc(-c3cc(C)cs3)cc21.
What is the InChIKey of 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The InChIKey is YMVQLLRBDLMVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3OS/c1-4-30-24-8-5-20(12-28-14-27(15-28)16-29(17-27)19(3)31)10-23(24)22-7-6-21(11-25(22)30)26-9-18(2)13-32-26/h5-11,13H,4,12,14-17H2,1-3H3.
What are the key properties of 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 443.62 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 178034712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).