2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide

C29H25F4N5O4 — CID 164740633

IUPAC2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1C[C@@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(n1cnnc1)C(F)(F)F)C1CC1
InChIInChI=1S/C29H25F4N5O4/c1-41-22-4-2-3-19(26(34)39)20(22)12-27(40,17-7-8-17)23-11-21-25(24(37-23)16-5-9-18(30)10-6-16)42-13-28(21,29(31,32)33)38-14-35-36-15-38/h2-6,9-11,14-15,17,40H,7-8,12-13H2,1H3,(H2,34,39)/t27-,28-/m0/s1
InChIKeyANQGNNIAYZMQKF-NSOVKSMOSA-N
MW583.54 g/mol
LogP4.13
Rot. Bonds8

About 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide

2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide (PubChem CID 164740633) has the molecular formula C29H25F4N5O4 and a molecular weight of 583.54 g/mol. Its IUPAC name is 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
PubChem CID164740633
Molecular FormulaC29H25F4N5O4
Molecular Weight583.54 g/mol
Exact Mass583.18
IUPAC Name2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1C[C@@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(n1cnnc1)C(F)(F)F)C1CC1
InChIInChI=1S/C29H25F4N5O4/c1-41-22-4-2-3-19(26(34)39)20(22)12-27(40,17-7-8-17)23-11-21-25(24(37-23)16-5-9-18(30)10-6-16)42-13-28(21,29(31,32)33)38-14-35-36-15-38/h2-6,9-11,14-15,17,40H,7-8,12-13H2,1H3,(H2,34,39)/t27-,28-/m0/s1
InChIKeyANQGNNIAYZMQKF-NSOVKSMOSA-N
XLogP4.13
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide with MolForge

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Related Compounds

2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
CID 164740600
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]benzamide
CID 164740601
2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 164740604
2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 164740610
2-[(2S)-2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 164740613
2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
CID 164740618
2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
CID 164740623
2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 164740628
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]quinoline-6-carboxamide
CID 164740638
2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 164740641
2-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 164740647
(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
CID 164956351

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
The IUPAC name of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide (CID 164740633) is 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide.
What is the SMILES notation for 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
The canonical SMILES for 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide is COc1cccc(C(N)=O)c1C[C@@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(n1cnnc1)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
The InChIKey is ANQGNNIAYZMQKF-NSOVKSMOSA-N. The full InChI is InChI=1S/C29H25F4N5O4/c1-41-22-4-2-3-19(26(34)39)20(22)12-27(40,17-7-8-17)23-11-21-25(24(37-23)16-5-9-18(30)10-6-16)42-13-28(21,29(31,32)33)38-14-35-36-15-38/h2-6,9-11,14-15,17,40H,7-8,12-13H2,1H3,(H2,34,39)/t27-,28-/m0/s1.
What are the key properties of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide has a molecular weight of 583.54 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide is sourced from PubChem (CID 164740633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).