(3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

C23H24N4O4 — CID 164867460

IUPAC(3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCOc1ccc2c(c1)COC[C@H]2N(C)C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3
InChIInChI=1S/C23H24N4O4/c1-12-21-17(10-31-12)16-7-18(25-8-19(16)26-22(21)24)23(28)27(2)20-11-30-9-13-6-14(29-3)4-5-15(13)20/h4-8,12,20H,9-11H2,1-3H3,(H2,24,26)/t12-,20-/m1/s1
InChIKeyFYNJWKLVFYEQFY-MPBGBICISA-N
MW420.47 g/mol
LogP3.16
Rot. Bonds3

About (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

(3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (PubChem CID 164867460) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
PubChem CID164867460
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCOc1ccc2c(c1)COC[C@H]2N(C)C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3
InChIInChI=1S/C23H24N4O4/c1-12-21-17(10-31-12)16-7-18(25-8-19(16)26-22(21)24)23(28)27(2)20-11-30-9-13-6-14(29-3)4-5-15(13)20/h4-8,12,20H,9-11H2,1-3H3,(H2,24,26)/t12-,20-/m1/s1
InChIKeyFYNJWKLVFYEQFY-MPBGBICISA-N
XLogP3.16
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide with MolForge

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Related Compounds

4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163383465
4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 164867555
4-amino-N-[(3R)-5,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 164867468
(3R)-4-amino-N-cyclopropyl-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 169102300
(3R)-4-amino-N-[(6-bromopyridazin-3-yl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 167085296
(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 174220403
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-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 164867031
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-chloro-3-pyridinyl)-5-methylmorpholin-4-yl]methanone
CID 164798711
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3R,5S)-3-(6-chloro-3-pyridinyl)-5-methylmorpholin-4-yl]methanone
CID 164798478
4-amino-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide
CID 164867180
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
CID 164798694

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (CID 164867460) is (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is COc1ccc2c(c1)COC[C@H]2N(C)C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3.
What is the InChIKey of (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is FYNJWKLVFYEQFY-MPBGBICISA-N. The full InChI is InChI=1S/C23H24N4O4/c1-12-21-17(10-31-12)16-7-18(25-8-19(16)26-22(21)24)23(28)27(2)20-11-30-9-13-6-14(29-3)4-5-15(13)20/h4-8,12,20H,9-11H2,1-3H3,(H2,24,26)/t12-,20-/m1/s1.
What are the key properties of (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
(3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 164867460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).