propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

C34H43N5O4 — CID 140840524

About propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate (PubChem CID 140840524) has the molecular formula C34H43N5O4 and a molecular weight of 585.75 g/mol. Its IUPAC name is propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate
• PubChem CID: 140840524
• Molecular Formula: C34H43N5O4
• Molecular Weight: 585.75 g/mol
• Exact Mass: 585.33
• IUPAC Name: propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate
• SMILES: CC(C)OC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)nn2)CC1
• InChI: InChI=1S/C34H43N5O4/c1-22(2)43-32(41)39(4)27-16-10-23(11-17-27)18-30(40)36-29-19-28(24-8-6-5-7-9-24)31(38-37-29)25-12-14-26(15-13-25)34(35)20-33(3,42)21-34/h5-9,12-15,19,22-23,27,42H,10-11,16-18,20-21,35H2,1-4H3,(H,36,37,40)
• InChIKey: UYWDSZNDNRIERZ-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 130.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.75
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?

The IUPAC name of propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate (CID 140840524) is propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate.

What is the SMILES notation for propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?

The canonical SMILES for propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate is CC(C)OC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)nn2)CC1.

What is the InChIKey of propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?

The InChIKey is UYWDSZNDNRIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O4/c1-22(2)43-32(41)39(4)27-16-10-23(11-17-27)18-30(40)36-29-19-28(24-8-6-5-7-9-24)31(38-37-29)25-12-14-26(15-13-25)34(35)20-33(3,42)21-34/h5-9,12-15,19,22-23,27,42H,10-11,16-18,20-21,35H2,1-4H3,(H,36,37,40).

What are the key properties of propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate?

propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate has a molecular weight of 585.75 g/mol, XLogP of 5.87, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 140840524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).