4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide

C36H51N7O2 — CID 123652394

About 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide

4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide (PubChem CID 123652394) has the molecular formula C36H51N7O2 and a molecular weight of 613.85 g/mol. Its IUPAC name is 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide
• PubChem CID: 123652394
• Molecular Formula: C36H51N7O2
• Molecular Weight: 613.85 g/mol
• Exact Mass: 613.41
• IUPAC Name: 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide
• SMILES: CC1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3)nc2N1C1CCCCC1
• InChI: InChI=1S/C36H51N7O2/c1-25-36(45)40(2)32-18-19-33(39-34(32)43(25)31-6-4-3-5-7-31)37-28-12-10-27(11-13-28)35(44)38-29-14-16-30(17-15-29)42-22-20-41(21-23-42)24-26-8-9-26/h10-13,18-19,25-26,29-31H,3-9,14-17,20-24H2,1-2H3,(H,37,39)(H,38,44)
• InChIKey: NFSXAWOUCTZYHS-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 84.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.85
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide?

The IUPAC name of 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide (CID 123652394) is 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide.

What is the SMILES notation for 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide?

The canonical SMILES for 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide is CC1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3)nc2N1C1CCCCC1.

What is the InChIKey of 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide?

The InChIKey is NFSXAWOUCTZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N7O2/c1-25-36(45)40(2)32-18-19-33(39-34(32)43(25)31-6-4-3-5-7-31)37-28-12-10-27(11-13-28)35(44)38-29-14-16-30(17-15-29)42-22-20-41(21-23-42)24-26-8-9-26/h10-13,18-19,25-26,29-31H,3-9,14-17,20-24H2,1-2H3,(H,37,39)(H,38,44).

What are the key properties of 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide?

4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide has a molecular weight of 613.85 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide is sourced from PubChem (CID 123652394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).