N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

C27H23Cl2N5O3 — CID 154055470

About N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 154055470) has the molecular formula C27H23Cl2N5O3 and a molecular weight of 536.42 g/mol. Its IUPAC name is N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
• PubChem CID: 154055470
• Molecular Formula: C27H23Cl2N5O3
• Molecular Weight: 536.42 g/mol
• Exact Mass: 535.12
• IUPAC Name: N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cccnc1
• InChI: InChI=1S/C27H23Cl2N5O3/c28-21-9-6-16(11-22(21)29)14-31-27(37)34-24(17-3-1-4-17)13-23(33-34)20-8-7-19(12-25(20)35)32-26(36)18-5-2-10-30-15-18/h2,5-13,15,17,35H,1,3-4,14H2,(H,31,37)(H,32,36)
• InChIKey: MAHGVPDJJIBVEJ-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 109.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.42
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (CID 154055470) is N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cccnc1.

What is the InChIKey of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?

The InChIKey is MAHGVPDJJIBVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N5O3/c28-21-9-6-16(11-22(21)29)14-31-27(37)34-24(17-3-1-4-17)13-23(33-34)20-8-7-19(12-25(20)35)32-26(36)18-5-2-10-30-15-18/h2,5-13,15,17,35H,1,3-4,14H2,(H,31,37)(H,32,36).

What are the key properties of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?

N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 536.42 g/mol, XLogP of 6.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154055470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).