2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide

C30H23F4N5O3 — CID 164740639

IUPAC2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESC[C@]1(c2ccn[nH]2)COc2c1cc([C@@](O)(Cc1ccc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H23F4N5O3/c1-28(23-10-11-36-39-23)15-42-26-21(28)13-24(38-25(26)16-2-6-19(31)7-3-16)29(41,30(32,33)34)14-20-8-4-17-12-18(27(35)40)5-9-22(17)37-20/h2-13,41H,14-15H2,1H3,(H2,35,40)(H,36,39)/t28-,29-/m0/s1
InChIKeyBAUUYJCSMNFIIZ-VMPREFPWSA-N
MW577.54 g/mol
LogP4.95
Rot. Bonds6

About 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide

2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (PubChem CID 164740639) has the molecular formula C30H23F4N5O3 and a molecular weight of 577.54 g/mol. Its IUPAC name is 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
PubChem CID164740639
Molecular FormulaC30H23F4N5O3
Molecular Weight577.54 g/mol
Exact Mass577.17
IUPAC Name2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESC[C@]1(c2ccn[nH]2)COc2c1cc([C@@](O)(Cc1ccc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H23F4N5O3/c1-28(23-10-11-36-39-23)15-42-26-21(28)13-24(38-25(26)16-2-6-19(31)7-3-16)29(41,30(32,33)34)14-20-8-4-17-12-18(27(35)40)5-9-22(17)37-20/h2-13,41H,14-15H2,1H3,(H2,35,40)(H,36,39)/t28-,29-/m0/s1
InChIKeyBAUUYJCSMNFIIZ-VMPREFPWSA-N
XLogP4.95
TPSA127.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.54
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-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 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The IUPAC name of 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (CID 164740639) is 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The canonical SMILES for 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is C[C@]1(c2ccn[nH]2)COc2c1cc([C@@](O)(Cc1ccc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The InChIKey is BAUUYJCSMNFIIZ-VMPREFPWSA-N. The full InChI is InChI=1S/C30H23F4N5O3/c1-28(23-10-11-36-39-23)15-42-26-21(28)13-24(38-25(26)16-2-6-19(31)7-3-16)29(41,30(32,33)34)14-20-8-4-17-12-18(27(35)40)5-9-22(17)37-20/h2-13,41H,14-15H2,1H3,(H2,35,40)(H,36,39)/t28-,29-/m0/s1.
What are the key properties of 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide has a molecular weight of 577.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-methyl-3-(1H-pyrazol-5-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is sourced from PubChem (CID 164740639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).