7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine

C24H27N7O — CID 155514882

IUPAC7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine
SMILESCN1CCOc2c1cnn1c(-c3ccc4cccc(NCC5CCNCC5)c4c3)nnc21
InChIInChI=1S/C24H27N7O/c1-30-11-12-32-22-21(30)15-27-31-23(28-29-24(22)31)18-6-5-17-3-2-4-20(19(17)13-18)26-14-16-7-9-25-10-8-16/h2-6,13,15-16,25-26H,7-12,14H2,1H3
InChIKeyZQSFRZOCLWDZFX-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.18
Rot. Bonds4

About 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine

7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine (PubChem CID 155514882) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine.

Molecular Properties

Compound Name7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine
PubChem CID155514882
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine
SMILESCN1CCOc2c1cnn1c(-c3ccc4cccc(NCC5CCNCC5)c4c3)nnc21
InChIInChI=1S/C24H27N7O/c1-30-11-12-32-22-21(30)15-27-31-23(28-29-24(22)31)18-6-5-17-3-2-4-20(19(17)13-18)26-14-16-7-9-25-10-8-16/h2-6,13,15-16,25-26H,7-12,14H2,1H3
InChIKeyZQSFRZOCLWDZFX-UHFFFAOYSA-N
XLogP3.18
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine with MolForge

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Related Compounds

10-Methyl-5-(8-piperazin-1-ylquinolin-2-yl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 71202406
7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(oxan-4-ylmethyl)naphthalen-1-amine
CID 123518123
Pim1-IN-1
CID 123561371
5,6-difluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 123944769
5-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 124005596
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)quinolin-8-amine
CID 71488479
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylquinolin-8-amine
CID 71488550
1-[2-(10-Methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-yl]piperidin-4-amine
CID 71488552
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]quinolin-8-amine
CID 155510554
N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine
CID 155512906
3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]-N-(piperidin-4-ylmethyl)aniline
CID 155516837
2-(10-ethyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)quinolin-8-amine
CID 155518837

Frequently Asked Questions

What is the IUPAC name of 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine?
The IUPAC name of 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine (CID 155514882) is 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine.
What is the SMILES notation for 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine?
The canonical SMILES for 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine is CN1CCOc2c1cnn1c(-c3ccc4cccc(NCC5CCNCC5)c4c3)nnc21.
What is the InChIKey of 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine?
The InChIKey is ZQSFRZOCLWDZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30-11-12-32-22-21(30)15-27-31-23(28-29-24(22)31)18-6-5-17-3-2-4-20(19(17)13-18)26-14-16-7-9-25-10-8-16/h2-6,13,15-16,25-26H,7-12,14H2,1H3.
What are the key properties of 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine?
7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine has a molecular weight of 429.53 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)naphthalen-1-amine is sourced from PubChem (CID 155514882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).