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

C33H47N7O2 — CID 87055202

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

N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide (PubChem CID 87055202) has the molecular formula C33H47N7O2 and a molecular weight of 573.79 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide
• PubChem CID: 87055202
• Molecular Formula: C33H47N7O2
• Molecular Weight: 573.79 g/mol
• Exact Mass: 573.38
• IUPAC Name: N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide
• SMILES: CC(C)N1c2nc(Nc3cccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)c3)ccc2N(C)C(=O)[C@H]1C
• InChI: InChI=1S/C33H47N7O2/c1-22(2)40-23(3)33(42)37(4)29-14-15-30(36-31(29)40)34-27-7-5-6-25(20-27)32(41)35-26-10-12-28(13-11-26)39-18-16-38(17-19-39)21-24-8-9-24/h5-7,14-15,20,22-24,26,28H,8-13,16-19,21H2,1-4H3,(H,34,36)(H,35,41)/t23-,26?,28?/m1/s1
• InChIKey: UVJWDGLZCHLCAN-JJKUMZFKSA-N
• XLogP: 4.47
• TPSA: 84.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.79
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide (CID 87055202) is N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide.

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

The canonical SMILES for N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide is CC(C)N1c2nc(Nc3cccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)c3)ccc2N(C)C(=O)[C@H]1C.

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

The InChIKey is UVJWDGLZCHLCAN-JJKUMZFKSA-N. The full InChI is InChI=1S/C33H47N7O2/c1-22(2)40-23(3)33(42)37(4)29-14-15-30(36-31(29)40)34-27-7-5-6-25(20-27)32(41)35-26-10-12-28(13-11-26)39-18-16-38(17-19-39)21-24-8-9-24/h5-7,14-15,20,22-24,26,28H,8-13,16-19,21H2,1-4H3,(H,34,36)(H,35,41)/t23-,26?,28?/m1/s1.

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

N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide has a molecular weight of 573.79 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-[[(3R)-1,3-dimethyl-2-oxo-4-propan-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzamide is sourced from PubChem (CID 87055202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).