methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate

C17H14F2N4O3 — CID 172721526

IUPACmethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C17H14F2N4O3/c1-23-14-7-10(17(25)26-2)13(6-9(14)8-20-23)22-16(24)12-5-3-4-11(21-12)15(18)19/h3-8,15H,1-2H3,(H,22,24)
InChIKeyGOQZXXODFUONGP-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.94
Rot. Bonds4

About methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate

methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate (PubChem CID 172721526) has the molecular formula C17H14F2N4O3 and a molecular weight of 360.32 g/mol. Its IUPAC name is methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate
PubChem CID172721526
Molecular FormulaC17H14F2N4O3
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Namemethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C17H14F2N4O3/c1-23-14-7-10(17(25)26-2)13(6-9(14)8-20-23)22-16(24)12-5-3-4-11(21-12)15(18)19/h3-8,15H,1-2H3,(H,22,24)
InChIKeyGOQZXXODFUONGP-UHFFFAOYSA-N
XLogP2.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate 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

methyl 2-(3,3-dichloro-3-hydroxypropyl)-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121371008
ethane;methyl 1-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 145389022
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186656
N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655469
6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide
CID 121364958
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide
CID 118226623
methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 154655144
methyl 1-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazole-6-carboxylate
CID 138638459
6-(difluoromethyl)-N-(2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl)pyridine-2-carboxamide
CID 154655902
6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655195

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate?
The IUPAC name of methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate (CID 172721526) is methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate.
What is the SMILES notation for methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate?
The canonical SMILES for methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate is COC(=O)c1cc2c(cnn2C)cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate?
The InChIKey is GOQZXXODFUONGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3/c1-23-14-7-10(17(25)26-2)13(6-9(14)8-20-23)22-16(24)12-5-3-4-11(21-12)15(18)19/h3-8,15H,1-2H3,(H,22,24).
What are the key properties of methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate?
methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate has a molecular weight of 360.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate is sourced from PubChem (CID 172721526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).