4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H21F4N5O2 — CID 163383375

IUPAC4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@@H](C1CC1)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C23H21F4N5O2/c1-11(12-2-3-12)32(8-13-4-5-20(31-30-13)23(25,26)27)22(33)15-6-14-16-9-34-10-17(16)21(28)29-19(14)7-18(15)24/h4-7,11-12H,2-3,8-10H2,1H3,(H2,28,29)/t11-/m0/s1
InChIKeyZRHMZZCKNCJILT-NSHDSACASA-N
MW475.45 g/mol
LogP4.24
Rot. Bonds5

About 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383375) has the molecular formula C23H21F4N5O2 and a molecular weight of 475.45 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163383375
Molecular FormulaC23H21F4N5O2
Molecular Weight475.45 g/mol
Exact Mass475.16
IUPAC Name4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@@H](C1CC1)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3
InChIInChI=1S/C23H21F4N5O2/c1-11(12-2-3-12)32(8-13-4-5-20(31-30-13)23(25,26)27)22(33)15-6-14-16-9-34-10-17(16)21(28)29-19(14)7-18(15)24/h4-7,11-12H,2-3,8-10H2,1H3,(H2,28,29)/t11-/m0/s1
InChIKeyZRHMZZCKNCJILT-NSHDSACASA-N
XLogP4.24
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Related Compounds

4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383092
4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102330
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
4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867085
4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382984
4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867568
4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383632
4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 167085267
4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
CID 163383514
4-amino-N-cyclopropyl-7-fluoro-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867438
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798578
4-amino-7-fluoro-N-methyl-N-[(3R)-6-methylsulfonyl-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867071

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163383375) is 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@@H](C1CC1)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1cc2c3c(c(N)nc2cc1F)COC3.
What is the InChIKey of 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is ZRHMZZCKNCJILT-NSHDSACASA-N. The full InChI is InChI=1S/C23H21F4N5O2/c1-11(12-2-3-12)32(8-13-4-5-20(31-30-13)23(25,26)27)22(33)15-6-14-16-9-34-10-17(16)21(28)29-19(14)7-18(15)24/h4-7,11-12H,2-3,8-10H2,1H3,(H2,28,29)/t11-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 475.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).