4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride

C61H77ClF3N15O2 — CID 167637733

IUPAC4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride
SMILESC.CC(C)(N)c1c[nH]c(=O)c2cnc(Cc3ccnc(C(C)(C)F)n3)cc12.CCc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)F)n3)ncc12.COc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)F)n3)ncc12.Cl
InChIInChI=1S/C21H26FN5.C20H24FN5O.C19H22FN5O.CH4.ClH/c1-6-18-16-11-25-14(10-15(16)17(12-26-18)21(4,5)23)9-13-7-8-24-19(27-13)20(2,3)22;1-19(2,21)18-23-7-6-12(26-18)8-13-9-14-15(10-24-13)17(27-5)25-11-16(14)20(3,4)22;1-18(2,20)17-22-6-5-11(25-17)7-12-8-13-14(9-23-12)16(26)24-10-15(13)19(3,4)21;;/h7-8,10-12H,6,9,23H2,1-5H3;6-7,9-11H,8,22H2,1-5H3;5-6,8-10H,7,21H2,1-4H3,(H,24,26);1H4;1H
InChIKeyKGEGWLDKTMGMJE-UHFFFAOYSA-N
MW1144.84 g/mol
LogP11.15
Rot. Bonds14

About 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride

4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride (PubChem CID 167637733) has the molecular formula C61H77ClF3N15O2 and a molecular weight of 1144.84 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride
PubChem CID167637733
Molecular FormulaC61H77ClF3N15O2
Molecular Weight1144.84 g/mol
Exact Mass1143.60
IUPAC Name4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride
SMILESC.CC(C)(N)c1c[nH]c(=O)c2cnc(Cc3ccnc(C(C)(C)F)n3)cc12.CCc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)F)n3)ncc12.COc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)F)n3)ncc12.Cl
InChIInChI=1S/C21H26FN5.C20H24FN5O.C19H22FN5O.CH4.ClH/c1-6-18-16-11-25-14(10-15(16)17(12-26-18)21(4,5)23)9-13-7-8-24-19(27-13)20(2,3)22;1-19(2,21)18-23-7-6-12(26-18)8-13-9-14-15(10-24-13)17(27-5)25-11-16(14)20(3,4)22;1-18(2,20)17-22-6-5-11(25-17)7-12-8-13-14(9-23-12)16(26)24-10-15(13)19(3,4)21;;/h7-8,10-12H,6,9,23H2,1-5H3;6-7,9-11H,8,22H2,1-5H3;5-6,8-10H,7,21H2,1-4H3,(H,24,26);1H4;1H
InChIKeyKGEGWLDKTMGMJE-UHFFFAOYSA-N
XLogP11.15
TPSA261.94 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001144.84
LogP ≤ 511.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride with MolForge

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Related Compounds

[5-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 89517226
US10927111, Example 68
CID 155253651
2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380857
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380858
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380874
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380929
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381017
(8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381035
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381130
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381166
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381216
N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
CID 118293473

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride?
The IUPAC name of 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride (CID 167637733) is 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride?
The canonical SMILES for 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride is C.CC(C)(N)c1c[nH]c(=O)c2cnc(Cc3ccnc(C(C)(C)F)n3)cc12.CCc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)F)n3)ncc12.COc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)F)n3)ncc12.Cl.
What is the InChIKey of 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride?
The InChIKey is KGEGWLDKTMGMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5.C20H24FN5O.C19H22FN5O.CH4.ClH/c1-6-18-16-11-25-14(10-15(16)17(12-26-18)21(4,5)23)9-13-7-8-24-19(27-13)20(2,3)22;1-19(2,21)18-23-7-6-12(26-18)8-13-9-14-15(10-24-13)17(27-5)25-11-16(14)20(3,4)22;1-18(2,20)17-22-6-5-11(25-17)7-12-8-13-14(9-23-12)16(26)24-10-15(13)19(3,4)21;;/h7-8,10-12H,6,9,23H2,1-5H3;6-7,9-11H,8,22H2,1-5H3;5-6,8-10H,7,21H2,1-4H3,(H,24,26);1H4;1H.
What are the key properties of 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride?
4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride has a molecular weight of 1144.84 g/mol, XLogP of 11.15, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2H-2,7-naphthyridin-1-one;2-[1-ethyl-6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;methane;hydrochloride is sourced from PubChem (CID 167637733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).