4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C30H24ClF3N6O3 — CID 66574750

IUPAC4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C(=O)NCC(F)(F)F)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)cn2n1
InChIInChI=1S/C30H24ClF3N6O3/c1-43-25-14-21(28(42)36-17-30(32,33)34)8-12-24(25)37-29-38-26-13-9-22(16-40(26)39-29)19-4-6-20(7-5-19)27(41)35-15-18-2-10-23(31)11-3-18/h2-14,16H,15,17H2,1H3,(H,35,41)(H,36,42)(H,37,39)
InChIKeyWPYLYISJYKEDGS-UHFFFAOYSA-N
MW609.01 g/mol
LogP6.02
Rot. Bonds9

About 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 66574750) has the molecular formula C30H24ClF3N6O3 and a molecular weight of 609.01 g/mol. Its IUPAC name is 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID66574750
Molecular FormulaC30H24ClF3N6O3
Molecular Weight609.01 g/mol
Exact Mass608.16
IUPAC Name4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C(=O)NCC(F)(F)F)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)cn2n1
InChIInChI=1S/C30H24ClF3N6O3/c1-43-25-14-21(28(42)36-17-30(32,33)34)8-12-24(25)37-29-38-26-13-9-22(16-40(26)39-29)19-4-6-20(7-5-19)27(41)35-15-18-2-10-23(31)11-3-18/h2-14,16H,15,17H2,1H3,(H,35,41)(H,36,42)(H,37,39)
InChIKeyWPYLYISJYKEDGS-UHFFFAOYSA-N
XLogP6.02
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.01
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 66574750) is 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(C(=O)NCC(F)(F)F)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)cn2n1.
What is the InChIKey of 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WPYLYISJYKEDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF3N6O3/c1-43-25-14-21(28(42)36-17-30(32,33)34)8-12-24(25)37-29-38-26-13-9-22(16-40(26)39-29)19-4-6-20(7-5-19)27(41)35-15-18-2-10-23(31)11-3-18/h2-14,16H,15,17H2,1H3,(H,35,41)(H,36,42)(H,37,39).
What are the key properties of 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 609.01 g/mol, XLogP of 6.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 66574750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).