8-cyclopropyloxy-N-[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

C33H27F4N5O4 — CID 167023778

IUPAC8-cyclopropyloxy-N-[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)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C33H27F4N5O4/c1-31(25-10-12-40-42-25)17-45-29-23(31)15-26(41-28(29)18-4-6-21(34)7-5-18)32(44,33(35,36)37)16-39-30(43)20-13-19-3-2-11-38-27(19)24(14-20)46-22-8-9-22/h2-7,10-15,22,44H,8-9,16-17H2,1H3,(H,39,43)(H,40,42)/t31-,32?/m0/s1
InChIKeyHVWLRMRLDAPSHF-CYZZXXEPSA-N
MW633.60 g/mol
LogP5.58
Rot. Bonds8

About 8-cyclopropyloxy-N-[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

8-cyclopropyloxy-N-[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 167023778) has the molecular formula C33H27F4N5O4 and a molecular weight of 633.60 g/mol. Its IUPAC name is 8-cyclopropyloxy-N-[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 Name8-cyclopropyloxy-N-[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 CID167023778
Molecular FormulaC33H27F4N5O4
Molecular Weight633.60 g/mol
Exact Mass633.20
IUPAC Name8-cyclopropyloxy-N-[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)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C33H27F4N5O4/c1-31(25-10-12-40-42-25)17-45-29-23(31)15-26(41-28(29)18-4-6-21(34)7-5-18)32(44,33(35,36)37)16-39-30(43)20-13-19-3-2-11-38-27(19)24(14-20)46-22-8-9-22/h2-7,10-15,22,44H,8-9,16-17H2,1H3,(H,39,43)(H,40,42)/t31-,32?/m0/s1
InChIKeyHVWLRMRLDAPSHF-CYZZXXEPSA-N
XLogP5.58
TPSA122.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.60
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-cyclopropyloxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 156872657
N-[(2R)-2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
CID 156872838
N-[2-[(3S)-3-cyano-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxy-3-fluoroquinoline-6-carboxamide
CID 166783361
8-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 167023773
5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)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 166783040
N-[2-[(3R)-3-(tert-butylsulfonylamino)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
CID 166688183
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 166680706
CID 163560549
CID 163560549
(3S)-5-[(2S)-3-[(4-cyclopropyloxy-2-methyl-1,3-benzothiazole-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 166033915
3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
CID 156872945
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 167024175
(4S)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one
CID 158028689

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyloxy-N-[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 8-cyclopropyloxy-N-[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 167023778) is 8-cyclopropyloxy-N-[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 8-cyclopropyloxy-N-[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 8-cyclopropyloxy-N-[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)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 8-cyclopropyloxy-N-[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 HVWLRMRLDAPSHF-CYZZXXEPSA-N. The full InChI is InChI=1S/C33H27F4N5O4/c1-31(25-10-12-40-42-25)17-45-29-23(31)15-26(41-28(29)18-4-6-21(34)7-5-18)32(44,33(35,36)37)16-39-30(43)20-13-19-3-2-11-38-27(19)24(14-20)46-22-8-9-22/h2-7,10-15,22,44H,8-9,16-17H2,1H3,(H,39,43)(H,40,42)/t31-,32?/m0/s1.
What are the key properties of 8-cyclopropyloxy-N-[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?
8-cyclopropyloxy-N-[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 633.60 g/mol, XLogP of 5.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyloxy-N-[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 167023778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).