(1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

C23H24N6 — CID 98062359

IUPAC(1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2Cc2cnn(C)c2)c1
InChIInChI=1S/C23H24N6/c1-15-4-3-5-17(8-15)20-10-23-24-12-19-21-7-6-18(9-22(19)29(23)26-20)28(21)14-16-11-25-27(2)13-16/h3-5,8,10-13,18,21H,6-7,9,14H2,1-2H3/t18-,21-/m0/s1
InChIKeyIZYRSJSXUHPEAL-RXVVDRJESA-N
MW384.49 g/mol
LogP3.70
Rot. Bonds3

About (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

(1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (PubChem CID 98062359) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name(1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
PubChem CID98062359
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name(1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2Cc2cnn(C)c2)c1
InChIInChI=1S/C23H24N6/c1-15-4-3-5-17(8-15)20-10-23-24-12-19-21-7-6-18(9-22(19)29(23)26-20)28(21)14-16-11-25-27(2)13-16/h3-5,8,10-13,18,21H,6-7,9,14H2,1-2H3/t18-,21-/m0/s1
InChIKeyIZYRSJSXUHPEAL-RXVVDRJESA-N
XLogP3.70
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-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 (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (CID 98062359) is (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-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 (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2Cc2cnn(C)c2)c1.
What is the InChIKey of (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is IZYRSJSXUHPEAL-RXVVDRJESA-N. The full InChI is InChI=1S/C23H24N6/c1-15-4-3-5-17(8-15)20-10-23-24-12-19-21-7-6-18(9-22(19)29(23)26-20)28(21)14-16-11-25-27(2)13-16/h3-5,8,10-13,18,21H,6-7,9,14H2,1-2H3/t18-,21-/m0/s1.
What are the key properties of (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
(1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 384.49 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S)-7-(3-methylphenyl)-15-[(1-methylpyrazol-4-yl)methyl]-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 98062359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).