3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole

C28H37N3 — CID 10001915

IUPAC3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN4CCCC4C3C3CCCCC3)ccc21
InChIInChI=1S/C28H37N3/c1-2-31-25-12-7-6-11-23(25)24-19-21(14-15-26(24)31)20-30-18-17-29-16-8-13-27(29)28(30)22-9-4-3-5-10-22/h6-7,11-12,14-15,19,22,27-28H,2-5,8-10,13,16-18,20H2,1H3
InChIKeyCCPMAALZHMJSHK-UHFFFAOYSA-N
MW415.63 g/mol
LogP6.04
Rot. Bonds4

About 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole

3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole (PubChem CID 10001915) has the molecular formula C28H37N3 and a molecular weight of 415.63 g/mol. Its IUPAC name is 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole.

Molecular Properties

Compound Name3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole
PubChem CID10001915
Molecular FormulaC28H37N3
Molecular Weight415.63 g/mol
Exact Mass415.30
IUPAC Name3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN4CCCC4C3C3CCCCC3)ccc21
InChIInChI=1S/C28H37N3/c1-2-31-25-12-7-6-11-23(25)24-19-21(14-15-26(24)31)20-30-18-17-29-16-8-13-27(29)28(30)22-9-4-3-5-10-22/h6-7,11-12,14-15,19,22,27-28H,2-5,8-10,13,16-18,20H2,1H3
InChIKeyCCPMAALZHMJSHK-UHFFFAOYSA-N
XLogP6.04
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.63
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole with MolForge

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Related Compounds

1-cyclohexyl-2-(naphthalen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 2867934
(1R,8aS)-1-cyclohexyl-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124750464
(1S,8aS)-1-cyclohexyl-2-[(3-phenylmethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1353367
(1R,8aS)-1-cyclohexyl-2-[(3-phenylmethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 7464151
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
9-ethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]carbazole
CID 7012437
2-[(2-chlorophenyl)methyl]-1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 2867916
methyl 4-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzoate
CID 10450941
1-[(9-ethylcarbazol-3-yl)methyl]piperidine-3-carbonitrile
CID 67996668
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028
9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
CID 72548879
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole?
The IUPAC name of 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole (CID 10001915) is 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole.
What is the SMILES notation for 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole?
The canonical SMILES for 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(CN3CCN4CCCC4C3C3CCCCC3)ccc21.
What is the InChIKey of 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole?
The InChIKey is CCPMAALZHMJSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3/c1-2-31-25-12-7-6-11-23(25)24-19-21(14-15-26(24)31)20-30-18-17-29-16-8-13-27(29)28(30)22-9-4-3-5-10-22/h6-7,11-12,14-15,19,22,27-28H,2-5,8-10,13,16-18,20H2,1H3.
What are the key properties of 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole?
3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole has a molecular weight of 415.63 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-9-ethylcarbazole is sourced from PubChem (CID 10001915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).