(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H20F4N4O2 — CID 170556796

IUPAC(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1cc(F)c(C(=O)N(C)[C@H]3CCc4nc(C(F)(F)F)ccc43)cc21
InChIInChI=1S/C23H20F4N4O2/c1-10-20-14(9-33-10)12-7-13(15(24)8-17(12)30-21(20)28)22(32)31(2)18-5-4-16-11(18)3-6-19(29-16)23(25,26)27/h3,6-8,10,18H,4-5,9H2,1-2H3,(H2,28,30)/t10-,18+/m1/s1
InChIKeyVLARFOHBMFTTNT-MGNBDDOMSA-N
MW460.43 g/mol
LogP4.72
Rot. Bonds2

About (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 170556796) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID170556796
Molecular FormulaC23H20F4N4O2
Molecular Weight460.43 g/mol
Exact Mass460.15
IUPAC Name(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1cc(F)c(C(=O)N(C)[C@H]3CCc4nc(C(F)(F)F)ccc43)cc21
InChIInChI=1S/C23H20F4N4O2/c1-10-20-14(9-33-10)12-7-13(15(24)8-17(12)30-21(20)28)22(32)31(2)18-5-4-16-11(18)3-6-19(29-16)23(25,26)27/h3,6-8,10,18H,4-5,9H2,1-2H3,(H2,28,30)/t10-,18+/m1/s1
InChIKeyVLARFOHBMFTTNT-MGNBDDOMSA-N
XLogP4.72
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 170556796) is (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@H]1OCc2c1c(N)nc1cc(F)c(C(=O)N(C)[C@H]3CCc4nc(C(F)(F)F)ccc43)cc21.
What is the InChIKey of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is VLARFOHBMFTTNT-MGNBDDOMSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c1-10-20-14(9-33-10)12-7-13(15(24)8-17(12)30-21(20)28)22(32)31(2)18-5-4-16-11(18)3-6-19(29-16)23(25,26)27/h3,6-8,10,18H,4-5,9H2,1-2H3,(H2,28,30)/t10-,18+/m1/s1.
What are the key properties of (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 170556796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).