6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

C32H34N8OS — CID 70934403

About 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934403) has the molecular formula C32H34N8OS and a molecular weight of 578.75 g/mol. Its IUPAC name is 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 70934403
• Molecular Formula: C32H34N8OS
• Molecular Weight: 578.75 g/mol
• Exact Mass: 578.26
• IUPAC Name: 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(C6CCCC6)cn5)c(=O)n(-c5nccs5)c4n3)cc2)CC1
• InChI: InChI=1S/C32H34N8OS/c1-39-15-12-26(13-16-39)36-24-7-9-25(10-8-24)37-31-35-20-23-18-27(28-11-6-22(19-34-28)21-4-2-3-5-21)30(41)40(29(23)38-31)32-33-14-17-42-32/h6-11,14,17-21,26,36H,2-5,12-13,15-16H2,1H3,(H,35,37,38)
• InChIKey: IWVDUHHOHZFMIP-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.75
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 70934403) is 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(C6CCCC6)cn5)c(=O)n(-c5nccs5)c4n3)cc2)CC1.

What is the InChIKey of 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IWVDUHHOHZFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8OS/c1-39-15-12-26(13-16-39)36-24-7-9-25(10-8-24)37-31-35-20-23-18-27(28-11-6-22(19-34-28)21-4-2-3-5-21)30(41)40(29(23)38-31)32-33-14-17-42-32/h6-11,14,17-21,26,36H,2-5,12-13,15-16H2,1H3,(H,35,37,38).

What are the key properties of 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 578.75 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyclopentyl-2-pyridinyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).