3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine

C30H28N4O — CID 59814684

IUPAC3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine
SMILESc1ccc(CN2[C@@H]3CC[C@H]2CC(N2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)nc1
InChIInChI=1S/C30H28N4O/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/t24-,25+,26?
InChIKeySRUCCQQLPFSZGL-IQCGEYIDSA-N
MW460.58 g/mol
LogP6.58
Rot. Bonds4

About 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine

3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine (PubChem CID 59814684) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine.

Molecular Properties

Compound Name3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine
PubChem CID59814684
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine
SMILESc1ccc(CN2[C@@H]3CC[C@H]2CC(N2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)nc1
InChIInChI=1S/C30H28N4O/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/t24-,25+,26?
InChIKeySRUCCQQLPFSZGL-IQCGEYIDSA-N
XLogP6.58
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine with MolForge

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Related Compounds

10-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-ylphenoxazine
CID 11619300
3-pyridin-4-yl-10-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazine
CID 11591035
N,N-diethyl-10-[(1R,5S)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine-3-carboximidamide
CID 59814714
4-[[3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2H-furan-5-one
CID 68915526
N-[2-[10-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazin-3-yl]phenyl]acetamide
CID 11526496
8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-yl-9H-xanthen-9-yl)-1-azabicyclo[3.2.1]octane
CID 69349756
[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 82242881
3-methyl-10-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenoxazine
CID 71055694
10-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-6-methoxy-3-pyridin-4-ylphenoxazine
CID 59814689
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
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

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine?
The IUPAC name of 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine (CID 59814684) is 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine.
What is the SMILES notation for 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine?
The canonical SMILES for 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine is c1ccc(CN2[C@@H]3CC[C@H]2CC(N2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)nc1.
What is the InChIKey of 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine?
The InChIKey is SRUCCQQLPFSZGL-IQCGEYIDSA-N. The full InChI is InChI=1S/C30H28N4O/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/t24-,25+,26?.
What are the key properties of 3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine?
3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine has a molecular weight of 460.58 g/mol, XLogP of 6.58, 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-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine is sourced from PubChem (CID 59814684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).