2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide

C25H20Cl3F7N4O2 — CID 171476064

IUPAC2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCN(C(=O)c1cc(-c2cnn(-c3c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3Cl)c2)cnc1Cl)C1CC1
InChIInChI=1S/C25H20Cl3F7N4O2/c1-41-6-2-5-38(16-3-4-16)22(40)17-7-13(10-36-21(17)28)14-11-37-39(12-14)20-18(26)8-15(9-19(20)27)23(29,24(30,31)32)25(33,34)35/h7-12,16H,2-6H2,1H3
InChIKeyVNKLTPDOEPLBIV-UHFFFAOYSA-N
MW647.81 g/mol
LogP7.82
Rot. Bonds9

About 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide

2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 171476064) has the molecular formula C25H20Cl3F7N4O2 and a molecular weight of 647.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID171476064
Molecular FormulaC25H20Cl3F7N4O2
Molecular Weight647.81 g/mol
Exact Mass646.05
IUPAC Name2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCN(C(=O)c1cc(-c2cnn(-c3c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3Cl)c2)cnc1Cl)C1CC1
InChIInChI=1S/C25H20Cl3F7N4O2/c1-41-6-2-5-38(16-3-4-16)22(40)17-7-13(10-36-21(17)28)14-11-37-39(12-14)20-18(26)8-15(9-19(20)27)23(29,24(30,31)32)25(33,34)35/h7-12,16H,2-6H2,1H3
InChIKeyVNKLTPDOEPLBIV-UHFFFAOYSA-N
XLogP7.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.81
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide 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 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 171476064) is 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCN(C(=O)c1cc(-c2cnn(-c3c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3Cl)c2)cnc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is VNKLTPDOEPLBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3F7N4O2/c1-41-6-2-5-38(16-3-4-16)22(40)17-7-13(10-36-21(17)28)14-11-37-39(12-14)20-18(26)8-15(9-19(20)27)23(29,24(30,31)32)25(33,34)35/h7-12,16H,2-6H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide?
2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 647.81 g/mol, XLogP of 7.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[1-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazol-4-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 171476064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).