3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one

C26H19Cl2N5O2S — CID 133081332

IUPAC3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=C(c1ccccc1Cl)n1nc(-c2cccn(Cc3cccnc3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C26H19Cl2N5O2S/c27-21-8-2-1-6-19(21)26(35)33-24(30-15-18-9-10-23(28)36-18)13-22(31-33)20-7-4-12-32(25(20)34)16-17-5-3-11-29-14-17/h1-14,30H,15-16H2
InChIKeyVDHHZCTYQRAQFW-UHFFFAOYSA-N
MW536.44 g/mol
LogP5.82
Rot. Bonds7

About 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one

3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 133081332) has the molecular formula C26H19Cl2N5O2S and a molecular weight of 536.44 g/mol. Its IUPAC name is 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID133081332
Molecular FormulaC26H19Cl2N5O2S
Molecular Weight536.44 g/mol
Exact Mass535.06
IUPAC Name3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=C(c1ccccc1Cl)n1nc(-c2cccn(Cc3cccnc3)c2=O)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C26H19Cl2N5O2S/c27-21-8-2-1-6-19(21)26(35)33-24(30-15-18-9-10-23(28)36-18)13-22(31-33)20-7-4-12-32(25(20)34)16-17-5-3-11-29-14-17/h1-14,30H,15-16H2
InChIKeyVDHHZCTYQRAQFW-UHFFFAOYSA-N
XLogP5.82
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 133081332) is 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is O=C(c1ccccc1Cl)n1nc(-c2cccn(Cc3cccnc3)c2=O)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is VDHHZCTYQRAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N5O2S/c27-21-8-2-1-6-19(21)26(35)33-24(30-15-18-9-10-23(28)36-18)13-22(31-33)20-7-4-12-32(25(20)34)16-17-5-3-11-29-14-17/h1-14,30H,15-16H2.
What are the key properties of 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 536.44 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorobenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 133081332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).