2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

C27H23Cl2N5O3 — CID 154055358

IUPAC2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccnc1Cl
InChIInChI=1S/C27H23Cl2N5O3/c28-21-9-2-1-5-17(21)15-31-27(37)34-23(16-6-3-7-16)14-22(33-34)19-11-10-18(13-24(19)35)32-26(36)20-8-4-12-30-25(20)29/h1-2,4-5,8-14,16,35H,3,6-7,15H2,(H,31,37)(H,32,36)
InChIKeyMTLPCQIYMNNHAS-UHFFFAOYSA-N
MW536.42 g/mol
LogP6.24
Rot. Bonds6

About 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 154055358) has the molecular formula C27H23Cl2N5O3 and a molecular weight of 536.42 g/mol. Its IUPAC name is 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID154055358
Molecular FormulaC27H23Cl2N5O3
Molecular Weight536.42 g/mol
Exact Mass535.12
IUPAC Name2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccnc1Cl
InChIInChI=1S/C27H23Cl2N5O3/c28-21-9-2-1-5-17(21)15-31-27(37)34-23(16-6-3-7-16)14-22(33-34)19-11-10-18(13-24(19)35)32-26(36)20-8-4-12-30-25(20)29/h1-2,4-5,8-14,16,35H,3,6-7,15H2,(H,31,37)(H,32,36)
InChIKeyMTLPCQIYMNNHAS-UHFFFAOYSA-N
XLogP6.24
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.42
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[5-cyclobutyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055351
2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055345
N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154055297
2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055372
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055663
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055593
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154056139
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054623

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (CID 154055358) is 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is MTLPCQIYMNNHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N5O3/c28-21-9-2-1-5-17(21)15-31-27(37)34-23(16-6-3-7-16)14-22(33-34)19-11-10-18(13-24(19)35)32-26(36)20-8-4-12-30-25(20)29/h1-2,4-5,8-14,16,35H,3,6-7,15H2,(H,31,37)(H,32,36).
What are the key properties of 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-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 2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154055358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).