(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

C21H23BrN6O3 — CID 167085296

IUPAC(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
SMILESCOC[C@@H](C)N(Cc1ccc(Br)nn1)C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3
InChIInChI=1S/C21H23BrN6O3/c1-11(9-30-3)28(8-13-4-5-18(22)27-26-13)21(29)16-6-14-15-10-31-12(2)19(15)20(23)25-17(14)7-24-16/h4-7,11-12H,8-10H2,1-3H3,(H2,23,25)/t11-,12-/m1/s1
InChIKeyKEIKPVPKBYWUSQ-VXGBXAGGSA-N
MW487.36 g/mol
LogP3.03
Rot. Bonds6

About (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

(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 (PubChem CID 167085296) has the molecular formula C21H23BrN6O3 and a molecular weight of 487.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167085296
Molecular FormulaC21H23BrN6O3
Molecular Weight487.36 g/mol
Exact Mass486.10
IUPAC Name(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
SMILESCOC[C@@H](C)N(Cc1ccc(Br)nn1)C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3
InChIInChI=1S/C21H23BrN6O3/c1-11(9-30-3)28(8-13-4-5-18(22)27-26-13)21(29)16-6-14-15-10-31-12(2)19(15)20(23)25-17(14)7-24-16/h4-7,11-12H,8-10H2,1-3H3,(H2,23,25)/t11-,12-/m1/s1
InChIKeyKEIKPVPKBYWUSQ-VXGBXAGGSA-N
XLogP3.03
TPSA116.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163383465
(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
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-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383574
(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163382890
(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
(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
(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
(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102294
(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
[(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-[(6-bromopyridazin-3-yl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC[C@@H](C)N(Cc1ccc(Br)nn1)C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3.
What is the InChIKey of (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?
The InChIKey is KEIKPVPKBYWUSQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C21H23BrN6O3/c1-11(9-30-3)28(8-13-4-5-18(22)27-26-13)21(29)16-6-14-15-10-31-12(2)19(15)20(23)25-17(14)7-24-16/h4-7,11-12H,8-10H2,1-3H3,(H2,23,25)/t11-,12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 487.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167085296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).