2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid

C29H33N9O4 — CID 162704900

About 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid

2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid (PubChem CID 162704900) has the molecular formula C29H33N9O4 and a molecular weight of 571.64 g/mol. Its IUPAC name is 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid
• PubChem CID: 162704900
• Molecular Formula: C29H33N9O4
• Molecular Weight: 571.64 g/mol
• Exact Mass: 571.27
• IUPAC Name: 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ncc(C(=O)O)cn4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C29H33N9O4/c1-17-22-16-31-28(35-25(22)38(20-7-5-6-8-20)26(40)24(17)18(2)39)34-23-10-9-21(15-30-23)36(3)11-12-37(4)29-32-13-19(14-33-29)27(41)42/h9-10,13-16,20H,5-8,11-12H2,1-4H3,(H,41,42)(H,30,31,34,35)
• InChIKey: QBYPAAKDOVEDOH-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 159.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.64
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid?

The IUPAC name of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid (CID 162704900) is 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid?

The canonical SMILES for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid is CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ncc(C(=O)O)cn4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid?

The InChIKey is QBYPAAKDOVEDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9O4/c1-17-22-16-31-28(35-25(22)38(20-7-5-6-8-20)26(40)24(17)18(2)39)34-23-10-9-21(15-30-23)36(3)11-12-37(4)29-32-13-19(14-33-29)27(41)42/h9-10,13-16,20H,5-8,11-12H2,1-4H3,(H,41,42)(H,30,31,34,35).

What are the key properties of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid?

2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 571.64 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 162704900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).