methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate

C30H29F4N3O7 — CID 156809873

IUPACmethyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate
SMILESCOC(=O)N[C@@]1(C(F)(F)F)COc2c1cc([C@@](C)(O)CNC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H29F4N3O7/c1-28(40,14-35-26(38)17-6-11-21(22(12-17)41-2)44-19-9-10-19)23-13-20-25(24(36-23)16-4-7-18(31)8-5-16)43-15-29(20,30(32,33)34)37-27(39)42-3/h4-8,11-13,19,40H,9-10,14-15H2,1-3H3,(H,35,38)(H,37,39)/t28-,29-/m0/s1
InChIKeyYXNMKLDNFZFYOH-VMPREFPWSA-N
MW619.57 g/mol
LogP4.58
Rot. Bonds9

About methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate

methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate (PubChem CID 156809873) has the molecular formula C30H29F4N3O7 and a molecular weight of 619.57 g/mol. Its IUPAC name is methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate
PubChem CID156809873
Molecular FormulaC30H29F4N3O7
Molecular Weight619.57 g/mol
Exact Mass619.19
IUPAC Namemethyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate
SMILESCOC(=O)N[C@@]1(C(F)(F)F)COc2c1cc([C@@](C)(O)CNC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H29F4N3O7/c1-28(40,14-35-26(38)17-6-11-21(22(12-17)41-2)44-19-9-10-19)23-13-20-25(24(36-23)16-4-7-18(31)8-5-16)43-15-29(20,30(32,33)34)37-27(39)42-3/h4-8,11-13,19,40H,9-10,14-15H2,1-3H3,(H,35,38)(H,37,39)/t28-,29-/m0/s1
InChIKeyYXNMKLDNFZFYOH-VMPREFPWSA-N
XLogP4.58
TPSA128.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.57
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate?
The IUPAC name of methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate (CID 156809873) is methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate is COC(=O)N[C@@]1(C(F)(F)F)COc2c1cc([C@@](C)(O)CNC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(F)cc1.
What is the InChIKey of methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate?
The InChIKey is YXNMKLDNFZFYOH-VMPREFPWSA-N. The full InChI is InChI=1S/C30H29F4N3O7/c1-28(40,14-35-26(38)17-6-11-21(22(12-17)41-2)44-19-9-10-19)23-13-20-25(24(36-23)16-4-7-18(31)8-5-16)43-15-29(20,30(32,33)34)37-27(39)42-3/h4-8,11-13,19,40H,9-10,14-15H2,1-3H3,(H,35,38)(H,37,39)/t28-,29-/m0/s1.
What are the key properties of methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate?
methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate has a molecular weight of 619.57 g/mol, XLogP of 4.58, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 156809873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).