N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine

C20H19N5O — CID 122184266

IUPACN-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4cnn(C)c4)cc3n2)cc1
InChIInChI=1S/C20H19N5O/c1-25-13-16(12-23-25)15-9-19-18(21-11-15)7-8-20(24-19)22-10-14-3-5-17(26-2)6-4-14/h3-9,11-13H,10H2,1-2H3,(H,22,24)
InChIKeyXIQCNDRHCLTNGN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.65
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine

N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine (PubChem CID 122184266) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
PubChem CID122184266
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4cnn(C)c4)cc3n2)cc1
InChIInChI=1S/C20H19N5O/c1-25-13-16(12-23-25)15-9-19-18(21-11-15)7-8-20(24-19)22-10-14-3-5-17(26-2)6-4-14/h3-9,11-13H,10H2,1-2H3,(H,22,24)
InChIKeyXIQCNDRHCLTNGN-UHFFFAOYSA-N
XLogP3.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine (CID 122184266) is N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine is COc1ccc(CNc2ccc3ncc(-c4cnn(C)c4)cc3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The InChIKey is XIQCNDRHCLTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-25-13-16(12-23-25)15-9-19-18(21-11-15)7-8-20(24-19)22-10-14-3-5-17(26-2)6-4-14/h3-9,11-13H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 122184266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).