[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate

C36H46N4O5 — CID 162706780

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

[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate (PubChem CID 162706780) has the molecular formula C36H46N4O5 and a molecular weight of 614.79 g/mol. Its IUPAC name is [4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate.

Molecular Properties

• Compound Name: [4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate
• PubChem CID: 162706780
• Molecular Formula: C36H46N4O5
• Molecular Weight: 614.79 g/mol
• Exact Mass: 614.35
• IUPAC Name: [4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate
• SMILES: CCOC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)n3)CC2)c2cccc(-c3cnn(C4CC4)c3)c2)CC1
• InChI: InChI=1S/C36H46N4O5/c1-4-44-36(42)45-32-16-12-27(13-17-32)35(41)39(31-7-5-6-28(20-31)29-21-37-40(23-29)30-14-15-30)22-25-8-10-26(11-9-25)33-18-19-34(43-3)24(2)38-33/h5-7,18-21,23,25-27,30,32H,4,8-17,22H2,1-3H3
• InChIKey: GAIACDIEEKGVRQ-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 95.78 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.79
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate (CID 162706780) is [4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate.

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

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

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

The InChIKey is GAIACDIEEKGVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N4O5/c1-4-44-36(42)45-32-16-12-27(13-17-32)35(41)39(31-7-5-6-28(20-31)29-21-37-40(23-29)30-14-15-30)22-25-8-10-26(11-9-25)33-18-19-34(43-3)24(2)38-33/h5-7,18-21,23,25-27,30,32H,4,8-17,22H2,1-3H3.

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

[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate has a molecular weight of 614.79 g/mol, XLogP of 7.64, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] ethyl carbonate is sourced from PubChem (CID 162706780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).