3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine

C30H28N4S — CID 11591035

IUPAC3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine
SMILESc1ccc(CN2C3CCC2CC(N2c4ccccc4Sc4cc(-c5ccncc5)ccc42)C3)nc1
InChIInChI=1S/C30H28N4S/c1-2-7-29-27(6-1)34(28-11-8-22(17-30(28)35-29)21-12-15-31-16-13-21)26-18-24-9-10-25(19-26)33(24)20-23-5-3-4-14-32-23/h1-8,11-17,24-26H,9-10,18-20H2
InChIKeyAQQDIQUFCVBRPM-UHFFFAOYSA-N
MW476.65 g/mol
LogP6.94
Rot. Bonds4

About 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine

3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine (PubChem CID 11591035) has the molecular formula C30H28N4S and a molecular weight of 476.65 g/mol. Its IUPAC name is 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine.

Molecular Properties

Compound Name3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine
PubChem CID11591035
Molecular FormulaC30H28N4S
Molecular Weight476.65 g/mol
Exact Mass476.20
IUPAC Name3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine
SMILESc1ccc(CN2C3CCC2CC(N2c4ccccc4Sc4cc(-c5ccncc5)ccc42)C3)nc1
InChIInChI=1S/C30H28N4S/c1-2-7-29-27(6-1)34(28-11-8-22(17-30(28)35-29)21-12-15-31-16-13-21)26-18-24-9-10-25(19-26)33(24)20-23-5-3-4-14-32-23/h1-8,11-17,24-26H,9-10,18-20H2
InChIKeyAQQDIQUFCVBRPM-UHFFFAOYSA-N
XLogP6.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine with MolForge

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Related Compounds

3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine
CID 59814684
10-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-ylphenoxazine
CID 11619300
N,N-diethyl-10-[(1R,5S)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine-3-carboximidamide
CID 59814714
[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 82242881
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
(1Z)-3-[[3-(3-methylphenothiazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]buta-1,3-dien-1-ol
CID 143252733
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
3-propyl-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 138608098
4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one
CID 68915526
zinc;3-bromo-10-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenothiazine;10-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenothiazine-3-carbonitrile;10-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2H-tetrazol-5-yl)phenothiazine;dicyanide
CID 158390984

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine?
The IUPAC name of 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine (CID 11591035) is 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine.
What is the SMILES notation for 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine?
The canonical SMILES for 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine is c1ccc(CN2C3CCC2CC(N2c4ccccc4Sc4cc(-c5ccncc5)ccc42)C3)nc1.
What is the InChIKey of 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine?
The InChIKey is AQQDIQUFCVBRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4S/c1-2-7-29-27(6-1)34(28-11-8-22(17-30(28)35-29)21-12-15-31-16-13-21)26-18-24-9-10-25(19-26)33(24)20-23-5-3-4-14-32-23/h1-8,11-17,24-26H,9-10,18-20H2.
What are the key properties of 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine?
3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine has a molecular weight of 476.65 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine is sourced from PubChem (CID 11591035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).