6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate

C39H25F3N10O3 — CID 134533161

IUPAC6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)nc1.NC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C(F)F)n3)cn12
InChIInChI=1S/C20H13N5O2.C19H12F3N5O/c1-27-20(26)13-4-6-17(23-10-13)19-16(3-2-8-22-19)14-5-7-18-24-11-15(9-21)25(18)12-14;20-12-4-5-13(26-17(12)18(21)22)16-11(2-1-7-24-16)10-3-6-15-25-8-14(19(23)28)27(15)9-10/h2-8,10-12H,1H3;1-9,18H,(H2,23,28)
InChIKeyQJNXIJOGROJKPX-UHFFFAOYSA-N
MW738.69 g/mol
LogP6.75
Rot. Bonds7

About 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate

6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate (PubChem CID 134533161) has the molecular formula C39H25F3N10O3 and a molecular weight of 738.69 g/mol. Its IUPAC name is 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
PubChem CID134533161
Molecular FormulaC39H25F3N10O3
Molecular Weight738.69 g/mol
Exact Mass738.21
IUPAC Name6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)nc1.NC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C(F)F)n3)cn12
InChIInChI=1S/C20H13N5O2.C19H12F3N5O/c1-27-20(26)13-4-6-17(23-10-13)19-16(3-2-8-22-19)14-5-7-18-24-11-15(9-21)25(18)12-14;20-12-4-5-13(26-17(12)18(21)22)16-11(2-1-7-24-16)10-3-6-15-25-8-14(19(23)28)27(15)9-10/h2-8,10-12H,1H3;1-9,18H,(H2,23,28)
InChIKeyQJNXIJOGROJKPX-UHFFFAOYSA-N
XLogP6.75
TPSA179.34 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.69
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The IUPAC name of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate (CID 134533161) is 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate.
What is the SMILES notation for 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The canonical SMILES for 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)nc1.NC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C(F)F)n3)cn12.
What is the InChIKey of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The InChIKey is QJNXIJOGROJKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2.C19H12F3N5O/c1-27-20(26)13-4-6-17(23-10-13)19-16(3-2-8-22-19)14-5-7-18-24-11-15(9-21)25(18)12-14;20-12-4-5-13(26-17(12)18(21)22)16-11(2-1-7-24-16)10-3-6-15-25-8-14(19(23)28)27(15)9-10/h2-8,10-12H,1H3;1-9,18H,(H2,23,28).
What are the key properties of 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate has a molecular weight of 738.69 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate is sourced from PubChem (CID 134533161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).