2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

C29H26N8O — CID 90182384

IUPAC2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCN1C=C(c2ccc(-c3ccc4ncc5c(c4n3)n(-c3ccc(C(C)(C)C#N)cc3)c(=O)n5C)cn2)CN1
InChIInChI=1S/C29H26N8O/c1-29(2,17-30)20-6-8-21(9-7-20)37-27-25(36(4)28(37)38)15-32-24-12-11-23(34-26(24)27)18-5-10-22(31-13-18)19-14-33-35(3)16-19/h5-13,15-16,33H,14H2,1-4H3
InChIKeyQVWHGWHTXTVWRH-UHFFFAOYSA-N
MW502.58 g/mol
LogP3.93
Rot. Bonds4

About 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (PubChem CID 90182384) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
PubChem CID90182384
Molecular FormulaC29H26N8O
Molecular Weight502.58 g/mol
Exact Mass502.22
IUPAC Name2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCN1C=C(c2ccc(-c3ccc4ncc5c(c4n3)n(-c3ccc(C(C)(C)C#N)cc3)c(=O)n5C)cn2)CN1
InChIInChI=1S/C29H26N8O/c1-29(2,17-30)20-6-8-21(9-7-20)37-27-25(36(4)28(37)38)15-32-24-12-11-23(34-26(24)27)18-5-10-22(31-13-18)19-14-33-35(3)16-19/h5-13,15-16,33H,14H2,1-4H3
InChIKeyQVWHGWHTXTVWRH-UHFFFAOYSA-N
XLogP3.93
TPSA104.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (CID 90182384) is 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is CN1C=C(c2ccc(-c3ccc4ncc5c(c4n3)n(-c3ccc(C(C)(C)C#N)cc3)c(=O)n5C)cn2)CN1.
What is the InChIKey of 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The InChIKey is QVWHGWHTXTVWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c1-29(2,17-30)20-6-8-21(9-7-20)37-27-25(36(4)28(37)38)15-32-24-12-11-23(34-26(24)27)18-5-10-22(31-13-18)19-14-33-35(3)16-19/h5-13,15-16,33H,14H2,1-4H3.
What are the key properties of 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile has a molecular weight of 502.58 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 90182384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).