(3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C32H27ClF4N6O5 — CID 169240946

IUPAC(3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(NC(=O)NC3CC3)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H27ClF4N6O5/c1-30(28(38)45)14-48-26-21(30)11-23(43-25(26)15-2-4-19(34)5-3-15)31(47,32(35,36)37)13-40-27(44)17-8-16-9-18(33)12-39-24(16)22(10-17)42-29(46)41-20-6-7-20/h2-5,8-12,20,47H,6-7,13-14H2,1H3,(H2,38,45)(H,40,44)(H2,41,42,46)/t30-,31-/m0/s1
InChIKeyCMBZTJPBVDIILV-CONSDPRKSA-N
MW687.05 g/mol
LogP4.69
Rot. Bonds8

About (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 169240946) has the molecular formula C32H27ClF4N6O5 and a molecular weight of 687.05 g/mol. Its IUPAC name is (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID169240946
Molecular FormulaC32H27ClF4N6O5
Molecular Weight687.05 g/mol
Exact Mass686.17
IUPAC Name(3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(NC(=O)NC3CC3)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H27ClF4N6O5/c1-30(28(38)45)14-48-26-21(30)11-23(43-25(26)15-2-4-19(34)5-3-15)31(47,32(35,36)37)13-40-27(44)17-8-16-9-18(33)12-39-24(16)22(10-17)42-29(46)41-20-6-7-20/h2-5,8-12,20,47H,6-7,13-14H2,1H3,(H2,38,45)(H,40,44)(H2,41,42,46)/t30-,31-/m0/s1
InChIKeyCMBZTJPBVDIILV-CONSDPRKSA-N
XLogP4.69
TPSA168.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500687.05
LogP ≤ 54.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 169240946) is (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(NC(=O)NC3CC3)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is CMBZTJPBVDIILV-CONSDPRKSA-N. The full InChI is InChI=1S/C32H27ClF4N6O5/c1-30(28(38)45)14-48-26-21(30)11-23(43-25(26)15-2-4-19(34)5-3-15)31(47,32(35,36)37)13-40-27(44)17-8-16-9-18(33)12-39-24(16)22(10-17)42-29(46)41-20-6-7-20/h2-5,8-12,20,47H,6-7,13-14H2,1H3,(H2,38,45)(H,40,44)(H2,41,42,46)/t30-,31-/m0/s1.
What are the key properties of (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 687.05 g/mol, XLogP of 4.69, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 169240946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).