2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide

C29H28ClF2N7O3 — CID 135205547

IUPAC2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide
SMILESCCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O
InChIInChI=1S/C29H28ClF2N7O3/c1-4-5-6-25(29(41)33-19-8-9-22-17(11-19)14-37(2)35-22)38-16-26(42-3)21(13-27(38)40)20-12-18(30)7-10-24(20)39-15-23(28(31)32)34-36-39/h7-16,25,28H,4-6H2,1-3H3,(H,33,41)
InChIKeyOUOIBTWZEMQDJD-UHFFFAOYSA-N
MW596.04 g/mol
LogP5.95
Rot. Bonds10

About 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide

2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide (PubChem CID 135205547) has the molecular formula C29H28ClF2N7O3 and a molecular weight of 596.04 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide
PubChem CID135205547
Molecular FormulaC29H28ClF2N7O3
Molecular Weight596.04 g/mol
Exact Mass595.19
IUPAC Name2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide
SMILESCCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O
InChIInChI=1S/C29H28ClF2N7O3/c1-4-5-6-25(29(41)33-19-8-9-22-17(11-19)14-37(2)35-22)38-16-26(42-3)21(13-27(38)40)20-12-18(30)7-10-24(20)39-15-23(28(31)32)34-36-39/h7-16,25,28H,4-6H2,1-3H3,(H,33,41)
InChIKeyOUOIBTWZEMQDJD-UHFFFAOYSA-N
XLogP5.95
TPSA108.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.04
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide with MolForge

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

Launch Full Analysis

Related Compounds

US10421742, Example 167
CID 135205467
US10421742, Example 163
CID 135205521
US10421742, Example 237
CID 135205533
US10421742, Example 165
CID 135205534
US10421742, Example 233
CID 135205553
US10421742, Example 99
CID 135205773
US10421742, Example 19
CID 135205820
US10421742, Example 168
CID 135206046
US10421742, Example 212
CID 135206089
US11180471, Example 172
CID 142742732
US10421742, Example 12
CID 135204747
US10421742, Example 23
CID 135205442

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide?
The IUPAC name of 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide (CID 135205547) is 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide?
The canonical SMILES for 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide is CCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide?
The InChIKey is OUOIBTWZEMQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF2N7O3/c1-4-5-6-25(29(41)33-19-8-9-22-17(11-19)14-37(2)35-22)38-16-26(42-3)21(13-27(38)40)20-12-18(30)7-10-24(20)39-15-23(28(31)32)34-36-39/h7-16,25,28H,4-6H2,1-3H3,(H,33,41).
What are the key properties of 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide?
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide has a molecular weight of 596.04 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)hexanamide is sourced from PubChem (CID 135205547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).