6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C29H29N7O2 — CID 58094658

About 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094658) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 58094658
• Molecular Formula: C29H29N7O2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• SMILES: Cc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n2)n1
• InChI: InChI=1S/C29H29N7O2/c1-20-3-2-4-25(32-20)26-17-22-9-10-30-29(37)27(22)28(34-26)33-24-7-5-21(6-8-24)23-18-31-36(19-23)12-11-35-13-15-38-16-14-35/h2-10,17-19H,11-16H2,1H3,(H,30,37)(H,33,34)
• InChIKey: UQKVWBXXKCBPDQ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 58094658) is 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one is Cc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(-c4cnn(CCN5CCOCC5)c4)cc3)n2)n1.

What is the InChIKey of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The InChIKey is UQKVWBXXKCBPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-20-3-2-4-25(32-20)26-17-22-9-10-30-29(37)27(22)28(34-26)33-24-7-5-21(6-8-24)23-18-31-36(19-23)12-11-35-13-15-38-16-14-35/h2-10,17-19H,11-16H2,1H3,(H,30,37)(H,33,34).

What are the key properties of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 507.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).