(1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

C24H23N5O — CID 98136477

IUPAC(1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCOc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cccnc1
InChIInChI=1S/C24H23N5O/c1-30-23-7-3-2-6-18(23)20-12-24-26-14-19-21-9-8-17(11-22(19)29(24)27-20)28(21)15-16-5-4-10-25-13-16/h2-7,10,12-14,17,21H,8-9,11,15H2,1H3/t17-,21-/m1/s1
InChIKeyRYNGMXFDWNQYJK-DYESRHJHSA-N
MW397.48 g/mol
LogP4.06
Rot. Bonds4

About (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

(1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (PubChem CID 98136477) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name(1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
PubChem CID98136477
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCOc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cccnc1
InChIInChI=1S/C24H23N5O/c1-30-23-7-3-2-6-18(23)20-12-24-26-14-19-21-9-8-17(11-22(19)29(24)27-20)28(21)15-16-5-4-10-25-13-16/h2-7,10,12-14,17,21H,8-9,11,15H2,1H3/t17-,21-/m1/s1
InChIKeyRYNGMXFDWNQYJK-DYESRHJHSA-N
XLogP4.06
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (CID 98136477) is (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cccnc1.
What is the InChIKey of (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is RYNGMXFDWNQYJK-DYESRHJHSA-N. The full InChI is InChI=1S/C24H23N5O/c1-30-23-7-3-2-6-18(23)20-12-24-26-14-19-21-9-8-17(11-22(19)29(24)27-20)28(21)15-16-5-4-10-25-13-16/h2-7,10,12-14,17,21H,8-9,11,15H2,1H3/t17-,21-/m1/s1.
What are the key properties of (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
(1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 397.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R)-7-(2-methoxyphenyl)-15-(pyridin-3-ylmethyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 98136477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).