N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

C33H34N8O4S — CID 177195455

About N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195455) has the molecular formula C33H34N8O4S and a molecular weight of 638.75 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
• PubChem CID: 177195455
• Molecular Formula: C33H34N8O4S
• Molecular Weight: 638.75 g/mol
• Exact Mass: 638.24
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
• SMILES: CNc1ccn(-c2cc3c(-c4nnc(C)s4)cnc(NCc4ccc(OC)cc4OC)c3c(Oc3c(C)ccc(OC)c3C)n2)n1
• InChI: InChI=1S/C33H34N8O4S/c1-18-8-11-25(43-6)19(2)30(18)45-32-29-23(15-28(37-32)41-13-12-27(34-4)40-41)24(33-39-38-20(3)46-33)17-36-31(29)35-16-21-9-10-22(42-5)14-26(21)44-7/h8-15,17H,16H2,1-7H3,(H,34,40)(H,35,36)
• InChIKey: ZVXDFTVKFBBOAE-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 130.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	638.75
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (CID 177195455) is N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is CNc1ccn(-c2cc3c(-c4nnc(C)s4)cnc(NCc4ccc(OC)cc4OC)c3c(Oc3c(C)ccc(OC)c3C)n2)n1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?

The InChIKey is ZVXDFTVKFBBOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N8O4S/c1-18-8-11-25(43-6)19(2)30(18)45-32-29-23(15-28(37-32)41-13-12-27(34-4)40-41)24(33-39-38-20(3)46-33)17-36-31(29)35-16-21-9-10-22(42-5)14-26(21)44-7/h8-15,17H,16H2,1-7H3,(H,34,40)(H,35,36).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?

N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine has a molecular weight of 638.75 g/mol, XLogP of 6.73, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).