1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride

C25H25ClN4O — CID 169428691

IUPAC1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCC5N3)c(=O)c2)nc1.Cl
InChIInChI=1S/C25H24N4O.ClH/c1-15-3-7-20(26-14-15)16-9-10-29(24(30)11-16)18-5-6-19-22(13-18)28(2)23-12-17-4-8-21(27-17)25(19)23;/h3,5-7,9-11,13-14,17,21,27H,4,8,12H2,1-2H3;1H
InChIKeyWPOKBHSRMZFZPG-UHFFFAOYSA-N
MW432.96 g/mol
LogP4.47
Rot. Bonds2

About 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride

1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride (PubChem CID 169428691) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride
PubChem CID169428691
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCC5N3)c(=O)c2)nc1.Cl
InChIInChI=1S/C25H24N4O.ClH/c1-15-3-7-20(26-14-15)16-9-10-29(24(30)11-16)18-5-6-19-22(13-18)28(2)23-12-17-4-8-21(27-17)25(19)23;/h3,5-7,9-11,13-14,17,21,27H,4,8,12H2,1-2H3;1H
InChIKeyWPOKBHSRMZFZPG-UHFFFAOYSA-N
XLogP4.47
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride?
The IUPAC name of 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride (CID 169428691) is 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride is Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CC3CCC5N3)c(=O)c2)nc1.Cl.
What is the InChIKey of 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride?
The InChIKey is WPOKBHSRMZFZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O.ClH/c1-15-3-7-20(26-14-15)16-9-10-29(24(30)11-16)18-5-6-19-22(13-18)28(2)23-12-17-4-8-21(27-17)25(19)23;/h3,5-7,9-11,13-14,17,21,27H,4,8,12H2,1-2H3;1H.
What are the key properties of 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride?
1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(5-methyl-2-pyridinyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 169428691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).