4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C24H20F4N4O2 — CID 169102309

IUPAC4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2cc(F)c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C34CC(C3)C4)cc2c2c1COC2
InChIInChI=1S/C24H20F4N4O2/c25-19-4-20-15(17-10-34-11-18(17)21(29)31-20)3-16(19)22(33)32(23-5-12(6-23)7-23)9-14-2-1-13(8-30-14)24(26,27)28/h1-4,8,12H,5-7,9-11H2,(H2,29,31)
InChIKeyJSJCKDCCBFSDGY-UHFFFAOYSA-N
MW472.44 g/mol
LogP4.59
Rot. Bonds4

About 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 169102309) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID169102309
Molecular FormulaC24H20F4N4O2
Molecular Weight472.44 g/mol
Exact Mass472.15
IUPAC Name4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2cc(F)c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C34CC(C3)C4)cc2c2c1COC2
InChIInChI=1S/C24H20F4N4O2/c25-19-4-20-15(17-10-34-11-18(17)21(29)31-20)3-16(19)22(33)32(23-5-12(6-23)7-23)9-14-2-1-13(8-30-14)24(26,27)28/h1-4,8,12H,5-7,9-11H2,(H2,29,31)
InChIKeyJSJCKDCCBFSDGY-UHFFFAOYSA-N
XLogP4.59
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Related Compounds

Anvumetostat
CID 164536956
4-amino-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383291
4-amino-N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382995
4-amino-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383367
4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383641
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164536921
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164536939
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798352
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 164798454
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798455
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798593
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 164798651

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 169102309) is 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is Nc1nc2cc(F)c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C34CC(C3)C4)cc2c2c1COC2.
What is the InChIKey of 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is JSJCKDCCBFSDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c25-19-4-20-15(17-10-34-11-18(17)21(29)31-20)3-16(19)22(33)32(23-5-12(6-23)7-23)9-14-2-1-13(8-30-14)24(26,27)28/h1-4,8,12H,5-7,9-11H2,(H2,29,31).
What are the key properties of 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 472.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-bicyclo[1.1.1]pentanyl)-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 169102309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).