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

C32H27F5N6O5 — CID 166033911

IUPAC(3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCc1cnc2c(NC(=O)NC3CC3)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(F)C(N)=O)C(F)(F)F)cc2c1
InChIInChI=1S/C32H27F5N6O5/c1-15-8-17-9-18(10-22(24(17)39-12-15)42-29(46)41-20-6-7-20)27(44)40-13-31(47,32(35,36)37)23-11-21-26(48-14-30(21,34)28(38)45)25(43-23)16-2-4-19(33)5-3-16/h2-5,8-12,20,47H,6-7,13-14H2,1H3,(H2,38,45)(H,40,44)(H2,41,42,46)/t30-,31+/m1/s1
InChIKeyVIAPSKOEAWYGJO-JSOSNVBQSA-N
MW670.60 g/mol
LogP4.25
Rot. Bonds8

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

(3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 166033911) has the molecular formula C32H27F5N6O5 and a molecular weight of 670.60 g/mol. Its IUPAC name is (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID166033911
Molecular FormulaC32H27F5N6O5
Molecular Weight670.60 g/mol
Exact Mass670.20
IUPAC Name(3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCc1cnc2c(NC(=O)NC3CC3)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(F)C(N)=O)C(F)(F)F)cc2c1
InChIInChI=1S/C32H27F5N6O5/c1-15-8-17-9-18(10-22(24(17)39-12-15)42-29(46)41-20-6-7-20)27(44)40-13-31(47,32(35,36)37)23-11-21-26(48-14-30(21,34)28(38)45)25(43-23)16-2-4-19(33)5-3-16/h2-5,8-12,20,47H,6-7,13-14H2,1H3,(H2,38,45)(H,40,44)(H2,41,42,46)/t30-,31+/m1/s1
InChIKeyVIAPSKOEAWYGJO-JSOSNVBQSA-N
XLogP4.25
TPSA168.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.60
LogP ≤ 54.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-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 (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide (CID 166033911) is (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide is Cc1cnc2c(NC(=O)NC3CC3)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(F)C(N)=O)C(F)(F)F)cc2c1.
What is the InChIKey of (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is VIAPSKOEAWYGJO-JSOSNVBQSA-N. The full InChI is InChI=1S/C32H27F5N6O5/c1-15-8-17-9-18(10-22(24(17)39-12-15)42-29(46)41-20-6-7-20)27(44)40-13-31(47,32(35,36)37)23-11-21-26(48-14-30(21,34)28(38)45)25(43-23)16-2-4-19(33)5-3-16/h2-5,8-12,20,47H,6-7,13-14H2,1H3,(H2,38,45)(H,40,44)(H2,41,42,46)/t30-,31+/m1/s1.
What are the key properties of (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
(3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 670.60 g/mol, XLogP of 4.25, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(2S)-3-[[8-(cyclopropylcarbamoylamino)-3-methylquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-fluoro-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 166033911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).