(3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen

C28H31F2N3O6 — CID 167622221

About (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen

(3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 167622221) has the molecular formula C28H31F2N3O6 and a molecular weight of 543.57 g/mol. Its IUPAC name is (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 167622221
• Molecular Formula: C28H31F2N3O6
• Molecular Weight: 543.57 g/mol
• Exact Mass: 543.22
• IUPAC Name: (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen
• SMILES: COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)C(N)=O)ccc1OCCF.[H][H]
• InChI: InChI=1S/C28H29F2N3O6.H2/c1-27(26(31)35)15-39-24-19(27)13-22(33-23(24)16-4-7-18(30)8-5-16)28(2,36)14-32-25(34)17-6-9-20(38-11-10-29)21(12-17)37-3;/h4-9,12-13,36H,10-11,14-15H2,1-3H3,(H2,31,35)(H,32,34);1H/t27-,28+;/m1./s1
• InChIKey: MPHVMROMRUGLHY-CNORLSDQSA-N
• XLogP: 3.26
• TPSA: 133.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.57
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen (CID 167622221) is (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen is COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)C(N)=O)ccc1OCCF.[H][H].

What is the InChIKey of (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is MPHVMROMRUGLHY-CNORLSDQSA-N. The full InChI is InChI=1S/C28H29F2N3O6.H2/c1-27(26(31)35)15-39-24-19(27)13-22(33-23(24)16-4-7-18(30)8-5-16)28(2,36)14-32-25(34)17-6-9-20(38-11-10-29)21(12-17)37-3;/h4-9,12-13,36H,10-11,14-15H2,1-3H3,(H2,31,35)(H,32,34);1H/t27-,28+;/m1./s1.

What are the key properties of (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen?

(3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 543.57 g/mol, XLogP of 3.26, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167622221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).