2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide

C32H28F4N4O4 — CID 162459448

IUPAC2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide
SMILESC[C@](O)(Cc1c(C(N)=O)ccc(OC2CC2)c1-c1cccnc1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(N)C(F)(F)F
InChIInChI=1S/C32H28F4N4O4/c1-30(42,14-22-21(29(37)41)10-11-24(44-20-8-9-20)26(22)18-3-2-12-39-15-18)25-13-23-28(43-16-31(23,38)32(34,35)36)27(40-25)17-4-6-19(33)7-5-17/h2-7,10-13,15,20,42H,8-9,14,16,38H2,1H3,(H2,37,41)/t30-,31-/m0/s1
InChIKeyOJXZSQLPFQKCCY-CONSDPRKSA-N
MW608.59 g/mol
LogP5.15
Rot. Bonds8

About 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide

2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide (PubChem CID 162459448) has the molecular formula C32H28F4N4O4 and a molecular weight of 608.59 g/mol. Its IUPAC name is 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide
PubChem CID162459448
Molecular FormulaC32H28F4N4O4
Molecular Weight608.59 g/mol
Exact Mass608.20
IUPAC Name2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide
SMILESC[C@](O)(Cc1c(C(N)=O)ccc(OC2CC2)c1-c1cccnc1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(N)C(F)(F)F
InChIInChI=1S/C32H28F4N4O4/c1-30(42,14-22-21(29(37)41)10-11-24(44-20-8-9-20)26(22)18-3-2-12-39-15-18)25-13-23-28(43-16-31(23,38)32(34,35)36)27(40-25)17-4-6-19(33)7-5-17/h2-7,10-13,15,20,42H,8-9,14,16,38H2,1H3,(H2,37,41)/t30-,31-/m0/s1
InChIKeyOJXZSQLPFQKCCY-CONSDPRKSA-N
XLogP5.15
TPSA133.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.59
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide with MolForge

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Related Compounds

4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide
CID 118063265
US11420976, Example 14
CID 156809848
US11420976, Example 15
CID 156809873
US11420976, Example 3
CID 156809883
US11420976, Example 16
CID 156809888
US11420976, Example 27
CID 156809893
US11420976, Example 1
CID 156809900
US11420976, Example 11
CID 156809935
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 9
CID 158470136
US11420976, Example 10
CID 163633832

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide (CID 162459448) is 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide is C[C@](O)(Cc1c(C(N)=O)ccc(OC2CC2)c1-c1cccnc1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(N)C(F)(F)F.
What is the InChIKey of 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide?
The InChIKey is OJXZSQLPFQKCCY-CONSDPRKSA-N. The full InChI is InChI=1S/C32H28F4N4O4/c1-30(42,14-22-21(29(37)41)10-11-24(44-20-8-9-20)26(22)18-3-2-12-39-15-18)25-13-23-28(43-16-31(23,38)32(34,35)36)27(40-25)17-4-6-19(33)7-5-17/h2-7,10-13,15,20,42H,8-9,14,16,38H2,1H3,(H2,37,41)/t30-,31-/m0/s1.
What are the key properties of 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide?
2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide has a molecular weight of 608.59 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 162459448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).