(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C25H23F3N4O3 — CID 175745662

IUPAC(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3[C@H]4COC[C@@H]34)cc21
InChIInChI=1S/C25H23F3N4O3/c1-12-21-17(11-35-12)16-6-13(2-5-20(16)31-23(21)29)24(33)32(22-18-9-34-10-19(18)22)8-15-4-3-14(7-30-15)25(26,27)28/h2-7,12,18-19,22H,8-11H2,1H3,(H2,29,31)/t12-,18-,19+,22?/m1/s1
InChIKeyCSJFGCDMNZTRAB-TUHRXNHPSA-N
MW484.48 g/mol
LogP4.11
Rot. Bonds4

About (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 175745662) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID175745662
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3[C@H]4COC[C@@H]34)cc21
InChIInChI=1S/C25H23F3N4O3/c1-12-21-17(11-35-12)16-6-13(2-5-20(16)31-23(21)29)24(33)32(22-18-9-34-10-19(18)22)8-15-4-3-14(7-30-15)25(26,27)28/h2-7,12,18-19,22H,8-11H2,1H3,(H2,29,31)/t12-,18-,19+,22?/m1/s1
InChIKeyCSJFGCDMNZTRAB-TUHRXNHPSA-N
XLogP4.11
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382856
(3S)-4-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382633
(3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383448
(3R)-4-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383364
4-amino-N-(3-hydroxy-2-methylpropyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383458
(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382679
(3S)-4-amino-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383200
(3S)-4-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382821
4-amino-N-[(1-cyanocyclopropyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383656
4-amino-N-tert-butyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163382719
4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 167085268
4-amino-N-(2,2-dimethylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383203

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 175745662) is (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3[C@H]4COC[C@@H]34)cc21.
What is the InChIKey of (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is CSJFGCDMNZTRAB-TUHRXNHPSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-12-21-17(11-35-12)16-6-13(2-5-20(16)31-23(21)29)24(33)32(22-18-9-34-10-19(18)22)8-15-4-3-14(7-30-15)25(26,27)28/h2-7,12,18-19,22H,8-11H2,1H3,(H2,29,31)/t12-,18-,19+,22?/m1/s1.
What are the key properties of (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 175745662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).