6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide

C25H27F6N7O2 — CID 155559954

IUPAC6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C25H27F6N7O2/c1-14-4-5-17(9-32-14)23(40)35-19-12-38-22(33-13-34-38)18(16(19)3)11-36-6-7-37(15(2)10-36)21(39)8-20(24(26,27)28)25(29,30)31/h4-5,9,12-13,15,20H,6-8,10-11H2,1-3H3,(H,35,40)/t15-/m0/s1
InChIKeyYJJBBWVKFXKPFA-HNNXBMFYSA-N
MW571.53 g/mol
LogP4.16
Rot. Bonds6

About 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide

6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 155559954) has the molecular formula C25H27F6N7O2 and a molecular weight of 571.53 g/mol. Its IUPAC name is 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
PubChem CID155559954
Molecular FormulaC25H27F6N7O2
Molecular Weight571.53 g/mol
Exact Mass571.21
IUPAC Name6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C25H27F6N7O2/c1-14-4-5-17(9-32-14)23(40)35-19-12-38-22(33-13-34-38)18(16(19)3)11-36-6-7-37(15(2)10-36)21(39)8-20(24(26,27)28)25(29,30)31/h4-5,9,12-13,15,20H,6-8,10-11H2,1-3H3,(H,35,40)/t15-/m0/s1
InChIKeyYJJBBWVKFXKPFA-HNNXBMFYSA-N
XLogP4.16
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]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 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide (CID 155559954) is 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)CC(C(F)(F)F)C(F)(F)F)[C@@H](C)C3)c2C)cn1.
What is the InChIKey of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is YJJBBWVKFXKPFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H27F6N7O2/c1-14-4-5-17(9-32-14)23(40)35-19-12-38-22(33-13-34-38)18(16(19)3)11-36-6-7-37(15(2)10-36)21(39)8-20(24(26,27)28)25(29,30)31/h4-5,9,12-13,15,20H,6-8,10-11H2,1-3H3,(H,35,40)/t15-/m0/s1.
What are the key properties of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 571.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155559954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).