7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine

C25H30N6O — CID 90289159

IUPAC7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cc(Nc2ccc3ncc(-c4cn(C)nc4C4CCOCC4)cc3n2)n(C)c1
InChIInChI=1S/C25H30N6O/c1-16(2)19-12-24(30(3)14-19)28-23-6-5-21-22(27-23)11-18(13-26-21)20-15-31(4)29-25(20)17-7-9-32-10-8-17/h5-6,11-17H,7-10H2,1-4H3,(H,27,28)
InChIKeyKAITVWBDSJZHLJ-UHFFFAOYSA-N
MW430.56 g/mol
LogP5.13
Rot. Bonds5

About 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine

7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289159) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine
PubChem CID90289159
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cc(Nc2ccc3ncc(-c4cn(C)nc4C4CCOCC4)cc3n2)n(C)c1
InChIInChI=1S/C25H30N6O/c1-16(2)19-12-24(30(3)14-19)28-23-6-5-21-22(27-23)11-18(13-26-21)20-15-31(4)29-25(20)17-7-9-32-10-8-17/h5-6,11-17H,7-10H2,1-4H3,(H,27,28)
InChIKeyKAITVWBDSJZHLJ-UHFFFAOYSA-N
XLogP5.13
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine (CID 90289159) is 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine is CC(C)c1cc(Nc2ccc3ncc(-c4cn(C)nc4C4CCOCC4)cc3n2)n(C)c1.
What is the InChIKey of 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine?
The InChIKey is KAITVWBDSJZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16(2)19-12-24(30(3)14-19)28-23-6-5-21-22(27-23)11-18(13-26-21)20-15-31(4)29-25(20)17-7-9-32-10-8-17/h5-6,11-17H,7-10H2,1-4H3,(H,27,28).
What are the key properties of 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine?
7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine has a molecular weight of 430.56 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]-N-(1-methyl-4-propan-2-ylpyrrol-2-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).