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

C35H45N5O4 — CID 164711006

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

methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate (PubChem CID 164711006) has the molecular formula C35H45N5O4 and a molecular weight of 599.78 g/mol. Its IUPAC name is methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate
• PubChem CID: 164711006
• Molecular Formula: C35H45N5O4
• Molecular Weight: 599.78 g/mol
• Exact Mass: 599.35
• IUPAC Name: methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate
• SMILES: COC(=O)NC1CCC(C(=O)NC(c2cccc(-c3cnn(C4CC4)c3)c2)C2CCC(c3ccc(OC)c(C)n3)CC2)CC1
• InChI: InChI=1S/C35H45N5O4/c1-22-32(43-2)18-17-31(37-22)23-7-9-24(10-8-23)33(39-34(41)25-11-13-29(14-12-25)38-35(42)44-3)27-6-4-5-26(19-27)28-20-36-40(21-28)30-15-16-30/h4-6,17-21,23-25,29-30,33H,7-16H2,1-3H3,(H,38,42)(H,39,41)
• InChIKey: ZNZAKQVVBRJYRI-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 107.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.78
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate (CID 164711006) is methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate.

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

The canonical SMILES for methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate is COC(=O)NC1CCC(C(=O)NC(c2cccc(-c3cnn(C4CC4)c3)c2)C2CCC(c3ccc(OC)c(C)n3)CC2)CC1.

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

The InChIKey is ZNZAKQVVBRJYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O4/c1-22-32(43-2)18-17-31(37-22)23-7-9-24(10-8-23)33(39-34(41)25-11-13-29(14-12-25)38-35(42)44-3)27-6-4-5-26(19-27)28-20-36-40(21-28)30-15-16-30/h4-6,17-21,23-25,29-30,33H,7-16H2,1-3H3,(H,38,42)(H,39,41).

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

methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate has a molecular weight of 599.78 g/mol, XLogP of 6.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4-[[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 164711006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).