[4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate

C35H42N6O4 — CID 135330440

About [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate

[4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate (PubChem CID 135330440) has the molecular formula C35H42N6O4 and a molecular weight of 610.76 g/mol. Its IUPAC name is [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate.

Molecular Properties

• Compound Name: [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate
• PubChem CID: 135330440
• Molecular Formula: C35H42N6O4
• Molecular Weight: 610.76 g/mol
• Exact Mass: 610.33
• IUPAC Name: [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate
• SMILES: CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C#N)n3)CC2)c2cccc(-c3cnn(C4CC4)c3)c2)CC1
• InChI: InChI=1S/C35H42N6O4/c1-37-35(43)45-30-14-10-25(11-15-30)34(42)40(29-5-3-4-26(18-29)27-20-38-41(22-27)28-12-13-28)21-23-6-8-24(9-7-23)31-16-17-33(44-2)32(19-36)39-31/h3-5,16-18,20,22-25,28,30H,6-15,21H2,1-2H3,(H,37,43)
• InChIKey: UISXYBDNEJKRKV-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 122.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.76
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate?

The IUPAC name of [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate (CID 135330440) is [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate.

What is the SMILES notation for [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate?

The canonical SMILES for [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate is CNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C#N)n3)CC2)c2cccc(-c3cnn(C4CC4)c3)c2)CC1.

What is the InChIKey of [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate?

The InChIKey is UISXYBDNEJKRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O4/c1-37-35(43)45-30-14-10-25(11-15-30)34(42)40(29-5-3-4-26(18-29)27-20-38-41(22-27)28-12-13-28)21-23-6-8-24(9-7-23)31-16-17-33(44-2)32(19-36)39-31/h3-5,16-18,20,22-25,28,30H,6-15,21H2,1-2H3,(H,37,43).

What are the key properties of [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate?

[4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate has a molecular weight of 610.76 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl-[3-(1-cyclopropylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl] N-methylcarbamate is sourced from PubChem (CID 135330440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).