7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide

C28H24F5N5O5 — CID 166783142

IUPAC7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CF)C(F)(F)F)cc2cc(C(N)=O)nn12
InChIInChI=1S/C28H24F5N5O5/c1-26(11-29)13-43-23-18(26)10-20(36-22(23)14-3-5-16(30)6-4-14)27(41,28(31,32)33)12-35-25(40)15-7-17-9-19(24(34)39)37-38(17)21(8-15)42-2/h3-10,41H,11-13H2,1-2H3,(H2,34,39)(H,35,40)
InChIKeyAJVGRZWEZGNIRR-UHFFFAOYSA-N
MW605.52 g/mol
LogP3.44
Rot. Bonds8

About 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide

7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide (PubChem CID 166783142) has the molecular formula C28H24F5N5O5 and a molecular weight of 605.52 g/mol. Its IUPAC name is 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide
PubChem CID166783142
Molecular FormulaC28H24F5N5O5
Molecular Weight605.52 g/mol
Exact Mass605.17
IUPAC Name7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CF)C(F)(F)F)cc2cc(C(N)=O)nn12
InChIInChI=1S/C28H24F5N5O5/c1-26(11-29)13-43-23-18(26)10-20(36-22(23)14-3-5-16(30)6-4-14)27(41,28(31,32)33)12-35-25(40)15-7-17-9-19(24(34)39)37-38(17)21(8-15)42-2/h3-10,41H,11-13H2,1-2H3,(H2,34,39)(H,35,40)
InChIKeyAJVGRZWEZGNIRR-UHFFFAOYSA-N
XLogP3.44
TPSA141.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

8-methoxy-N-[3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
CID 166783151
8-methoxy-N-[3,3,3-trifluoro-2-[(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
CID 166783154
3-amino-1,1,1-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 166783129
8-cyclopropyloxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 156872657
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethylamino)-3-methoxybenzamide
CID 122503296
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783333
N-[(2R)-2-[(3S)-3-(carbamoylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122502953
(3S)-5-[(2S)-3-[(2-cyclopropyl-4-methoxy-1,3-benzothiazole-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911525
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 122503109
5-[3-[[3-(difluoromethyl)-8-methoxyquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156873001
N-[2-[(3S)-3-amino-3-cyclopropyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122503025
N-[(2R)-2-[(3S)-3-amino-3-cyclopropyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122503162

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide (CID 166783142) is 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CF)C(F)(F)F)cc2cc(C(N)=O)nn12.
What is the InChIKey of 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide?
The InChIKey is AJVGRZWEZGNIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F5N5O5/c1-26(11-29)13-43-23-18(26)10-20(36-22(23)14-3-5-16(30)6-4-14)27(41,28(31,32)33)12-35-25(40)15-7-17-9-19(24(34)39)37-38(17)21(8-15)42-2/h3-10,41H,11-13H2,1-2H3,(H2,34,39)(H,35,40).
What are the key properties of 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide?
7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide has a molecular weight of 605.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]pyrazolo[1,5-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 166783142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).