(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H22F3N5O2 — CID 169102329

IUPAC(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)nn3)CC3CC3)cc21
InChIInChI=1S/C23H22F3N5O2/c1-12-20-17(11-33-12)16-8-14(4-6-18(16)28-21(20)27)22(32)31(9-13-2-3-13)10-15-5-7-19(30-29-15)23(24,25)26/h4-8,12-13H,2-3,9-11H2,1H3,(H2,27,28)/t12-/m1/s1
InChIKeyKUMKCWYYFMFNBI-GFCCVEGCSA-N
MW457.46 g/mol
LogP4.27
Rot. Bonds5

About (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 169102329) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID169102329
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)nn3)CC3CC3)cc21
InChIInChI=1S/C23H22F3N5O2/c1-12-20-17(11-33-12)16-8-14(4-6-18(16)28-21(20)27)22(32)31(9-13-2-3-13)10-15-5-7-19(30-29-15)23(24,25)26/h4-8,12-13H,2-3,9-11H2,1H3,(H2,27,28)/t12-/m1/s1
InChIKeyKUMKCWYYFMFNBI-GFCCVEGCSA-N
XLogP4.27
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Related Compounds

(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
(3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382630
(3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382626
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
(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102294
(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
(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
4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383574

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 169102329) is (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]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)nn3)CC3CC3)cc21.
What is the InChIKey of (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is KUMKCWYYFMFNBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-12-20-17(11-33-12)16-8-14(4-6-18(16)28-21(20)27)22(32)31(9-13-2-3-13)10-15-5-7-19(30-29-15)23(24,25)26/h4-8,12-13H,2-3,9-11H2,1H3,(H2,27,28)/t12-/m1/s1.
What are the key properties of (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 169102329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).