2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide

C27H21F4N7O3 — CID 164740626

IUPAC2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide
SMILESC[C@]1(n2cnnc2)COc2c1cc([C@@](O)(Cn1cc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H21F4N7O3/c1-25(37-13-33-34-14-37)12-41-23-19(25)9-21(35-22(23)15-2-5-18(28)6-3-15)26(40,27(29,30)31)11-38-10-17-8-16(24(32)39)4-7-20(17)36-38/h2-10,13-14,40H,11-12H2,1H3,(H2,32,39)/t25-,26-/m0/s1
InChIKeyZXZXGCIPOOYVNS-UIOOFZCWSA-N
MW567.50 g/mol
LogP3.53
Rot. Bonds6

About 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide

2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide (PubChem CID 164740626) has the molecular formula C27H21F4N7O3 and a molecular weight of 567.50 g/mol. Its IUPAC name is 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide
PubChem CID164740626
Molecular FormulaC27H21F4N7O3
Molecular Weight567.50 g/mol
Exact Mass567.16
IUPAC Name2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide
SMILESC[C@]1(n2cnnc2)COc2c1cc([C@@](O)(Cn1cc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H21F4N7O3/c1-25(37-13-33-34-14-37)12-41-23-19(25)9-21(35-22(23)15-2-5-18(28)6-3-15)26(40,27(29,30)31)11-38-10-17-8-16(24(32)39)4-7-20(17)36-38/h2-10,13-14,40H,11-12H2,1H3,(H2,32,39)/t25-,26-/m0/s1
InChIKeyZXZXGCIPOOYVNS-UIOOFZCWSA-N
XLogP3.53
TPSA133.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide with MolForge

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Related Compounds

2-[Bis-(2-fluoro-phenyl)-hydroxy-methyl]-3-ethyl-6-methoxy-pyrazolo[1,5-a]pyridine-5-carboxylic acid (1-ethyl-1H-[1,2,4]triazol-3-yl)-amide
CID 156855115
US11420976, Example 55
CID 165436713
US11420976, Example 64
CID 165436722
US11420976, Example 66
CID 165436723
N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide
CID 122502909
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-indole-5-carboxamide
CID 122502943
2-[4-(4-Fluoro-2,6-dimethylphenoxy)-3-[5-methyl-11-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-8-yl]phenyl]propan-2-ol
CID 146482150
1-[3-[5-(5-Ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]indazole-7-carboxamide
CID 156693561
8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[(2S,3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]cinnoline-6-carboxamide
CID 156872589
8-cyclopropyloxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[(2R)-7-(4-fluorophenyl)-2-imidazol-1-yl-5-oxa-8-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-9-yl]-2-hydroxypropyl]cinnoline-6-carboxamide
CID 156872641
(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
CID 157100290
(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one
CID 157161317

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide?
The IUPAC name of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide (CID 164740626) is 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide.
What is the SMILES notation for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide?
The canonical SMILES for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide is C[C@]1(n2cnnc2)COc2c1cc([C@@](O)(Cn1cc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide?
The InChIKey is ZXZXGCIPOOYVNS-UIOOFZCWSA-N. The full InChI is InChI=1S/C27H21F4N7O3/c1-25(37-13-33-34-14-37)12-41-23-19(25)9-21(35-22(23)15-2-5-18(28)6-3-15)26(40,27(29,30)31)11-38-10-17-8-16(24(32)39)4-7-20(17)36-38/h2-10,13-14,40H,11-12H2,1H3,(H2,32,39)/t25-,26-/m0/s1.
What are the key properties of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide?
2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide has a molecular weight of 567.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]indazole-5-carboxamide is sourced from PubChem (CID 164740626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).