6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile

C28H24N4O — CID 10094349

IUPAC6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(=O)c3ccccc3cc(C#N)c2c1
InChIInChI=1S/C28H24N4O/c1-4-7-25-31-26-17(2)12-18(3)30-28(26)32(25)16-19-10-11-23-24(13-19)21(15-29)14-20-8-5-6-9-22(20)27(23)33/h5-6,8-14H,4,7,16H2,1-3H3
InChIKeyKXTGLLAWHAPRGN-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.59
Rot. Bonds4

About 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile

6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile (PubChem CID 10094349) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile.

Molecular Properties

Compound Name6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile
PubChem CID10094349
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(=O)c3ccccc3cc(C#N)c2c1
InChIInChI=1S/C28H24N4O/c1-4-7-25-31-26-17(2)12-18(3)30-28(26)32(25)16-19-10-11-23-24(13-19)21(15-29)14-20-8-5-6-9-22(20)27(23)33/h5-6,8-14H,4,7,16H2,1-3H3
InChIKeyKXTGLLAWHAPRGN-UHFFFAOYSA-N
XLogP5.59
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile?
The IUPAC name of 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile (CID 10094349) is 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile.
What is the SMILES notation for 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile?
The canonical SMILES for 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile is CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(=O)c3ccccc3cc(C#N)c2c1.
What is the InChIKey of 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile?
The InChIKey is KXTGLLAWHAPRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-4-7-25-31-26-17(2)12-18(3)30-28(26)32(25)16-19-10-11-23-24(13-19)21(15-29)14-20-8-5-6-9-22(20)27(23)33/h5-6,8-14H,4,7,16H2,1-3H3.
What are the key properties of 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile?
6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile has a molecular weight of 432.53 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile is sourced from PubChem (CID 10094349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).