4-cyclopropyloxy-N-[(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

C30H27F4N5O5 — CID 167023914

IUPAC4-cyclopropyloxy-N-[(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
SMILESCOc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2cnnc2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C30H27F4N5O5/c1-28(41,13-35-27(40)18-5-10-22(23(11-18)42-2)44-20-8-9-20)24-12-21-26(25(38-24)17-3-6-19(31)7-4-17)43-14-29(21,30(32,33)34)39-15-36-37-16-39/h3-7,10-12,15-16,20,41H,8-9,13-14H2,1-2H3,(H,35,40)/t28-,29-/m0/s1
InChIKeyRHJBJVLVCZPQEX-VMPREFPWSA-N
MW613.57 g/mol
LogP4.36
Rot. Bonds9

About 4-cyclopropyloxy-N-[(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

4-cyclopropyloxy-N-[(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 (PubChem CID 167023914) has the molecular formula C30H27F4N5O5 and a molecular weight of 613.57 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[(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.

Molecular Properties

Compound Name4-cyclopropyloxy-N-[(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
PubChem CID167023914
Molecular FormulaC30H27F4N5O5
Molecular Weight613.57 g/mol
Exact Mass613.19
IUPAC Name4-cyclopropyloxy-N-[(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
SMILESCOc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2cnnc2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C30H27F4N5O5/c1-28(41,13-35-27(40)18-5-10-22(23(11-18)42-2)44-20-8-9-20)24-12-21-26(25(38-24)17-3-6-19(31)7-4-17)43-14-29(21,30(32,33)34)39-15-36-37-16-39/h3-7,10-12,15-16,20,41H,8-9,13-14H2,1-2H3,(H,35,40)/t28-,29-/m0/s1
InChIKeyRHJBJVLVCZPQEX-VMPREFPWSA-N
XLogP4.36
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-cyclopropyloxy-N-[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 167023665
N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
CID 166680777
(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167665389
N-[2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166667153
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 167024175
4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 144796013
N-[(2S)-2-[(3R)-3-azido-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 171406019
[2-[[(3R)-5-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]amino]-2-oxoethyl] acetate
CID 166667150
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide
CID 165436687
N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166688293
4-cyclopropyloxy-N-[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 167023910

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-[(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?
The IUPAC name of 4-cyclopropyloxy-N-[(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 167023914) is 4-cyclopropyloxy-N-[(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.
What is the SMILES notation for 4-cyclopropyloxy-N-[(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?
The canonical SMILES for 4-cyclopropyloxy-N-[(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 is COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(n2cnnc2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-N-[(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?
The InChIKey is RHJBJVLVCZPQEX-VMPREFPWSA-N. The full InChI is InChI=1S/C30H27F4N5O5/c1-28(41,13-35-27(40)18-5-10-22(23(11-18)42-2)44-20-8-9-20)24-12-21-26(25(38-24)17-3-6-19(31)7-4-17)43-14-29(21,30(32,33)34)39-15-36-37-16-39/h3-7,10-12,15-16,20,41H,8-9,13-14H2,1-2H3,(H,35,40)/t28-,29-/m0/s1.
What are the key properties of 4-cyclopropyloxy-N-[(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?
4-cyclopropyloxy-N-[(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 has a molecular weight of 613.57 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-N-[(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 is sourced from PubChem (CID 167023914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).