(2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene

C23H29N3 — CID 45380483

IUPAC(2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene
SMILESCc1ccc2c(c1)[C@H]1CN3CCC(CC3)[C@H]1N2CCc1ccc(C)nc1
InChIInChI=1S/C23H29N3/c1-16-3-6-22-20(13-16)21-15-25-10-8-19(9-11-25)23(21)26(22)12-7-18-5-4-17(2)24-14-18/h3-6,13-14,19,21,23H,7-12,15H2,1-2H3/t21-,23-/m1/s1
InChIKeyMXPTYNVDHZINDO-FYYLOGMGSA-N
MW347.51 g/mol
LogP3.94
Rot. Bonds3

About (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene

(2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene (PubChem CID 45380483) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene.

Molecular Properties

Compound Name(2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene
PubChem CID45380483
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name(2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene
SMILESCc1ccc2c(c1)[C@H]1CN3CCC(CC3)[C@H]1N2CCc1ccc(C)nc1
InChIInChI=1S/C23H29N3/c1-16-3-6-22-20(13-16)21-15-25-10-8-19(9-11-25)23(21)26(22)12-7-18-5-4-17(2)24-14-18/h3-6,13-14,19,21,23H,7-12,15H2,1-2H3/t21-,23-/m1/s1
InChIKeyMXPTYNVDHZINDO-FYYLOGMGSA-N
XLogP3.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene?
The IUPAC name of (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene (CID 45380483) is (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene.
What is the SMILES notation for (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene?
The canonical SMILES for (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene is Cc1ccc2c(c1)[C@H]1CN3CCC(CC3)[C@H]1N2CCc1ccc(C)nc1.
What is the InChIKey of (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene?
The InChIKey is MXPTYNVDHZINDO-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H29N3/c1-16-3-6-22-20(13-16)21-15-25-10-8-19(9-11-25)23(21)26(22)12-7-18-5-4-17(2)24-14-18/h3-6,13-14,19,21,23H,7-12,15H2,1-2H3/t21-,23-/m1/s1.
What are the key properties of (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene?
(2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene has a molecular weight of 347.51 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10S)-7-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-4(9),5,7-triene is sourced from PubChem (CID 45380483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).