2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one

C63H69N15O6 — CID 163765301

IUPAC2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cncnc2[nH]c1=O.CC(C)c1cc2nccnc2[nH]c1=O.CC(C)c1nc2cccnc2cc1O.CC(C)c1nc2ncncc2cc1O
InChIInChI=1S/3C11H12N2O.3C10H11N3O/c1-7(2)11-10(14)6-9-8(13-11)4-3-5-12-9;2*1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;1-6(2)9-8(14)3-7-4-11-5-12-10(7)13-9;1-6(2)8-3-7-4-11-5-12-9(7)13-10(8)14;1-6(2)7-5-8-9(13-10(7)14)12-4-3-11-8/h3-7,14H,1-2H3;2*3-7H,1-2H3,(H,12,13,14);3-6,14H,1-2H3;3-6H,1-2H3,(H,11,12,13,14);3-6H,1-2H3,(H,12,13,14)
InChIKeyMBTAOKYGCCJHRO-UHFFFAOYSA-N
MW1132.34 g/mol
LogP11.29
Rot. Bonds6

About 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one

2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 163765301) has the molecular formula C63H69N15O6 and a molecular weight of 1132.34 g/mol. Its IUPAC name is 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID163765301
Molecular FormulaC63H69N15O6
Molecular Weight1132.34 g/mol
Exact Mass1131.56
IUPAC Name2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cncnc2[nH]c1=O.CC(C)c1cc2nccnc2[nH]c1=O.CC(C)c1nc2cccnc2cc1O.CC(C)c1nc2ncncc2cc1O
InChIInChI=1S/3C11H12N2O.3C10H11N3O/c1-7(2)11-10(14)6-9-8(13-11)4-3-5-12-9;2*1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;1-6(2)9-8(14)3-7-4-11-5-12-10(7)13-9;1-6(2)8-3-7-4-11-5-12-9(7)13-10(8)14;1-6(2)7-5-8-9(13-10(7)14)12-4-3-11-8/h3-7,14H,1-2H3;2*3-7H,1-2H3,(H,12,13,14);3-6,14H,1-2H3;3-6H,1-2H3,(H,11,12,13,14);3-6H,1-2H3,(H,12,13,14)
InChIKeyMBTAOKYGCCJHRO-UHFFFAOYSA-N
XLogP11.29
TPSA313.69 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001132.34
LogP ≤ 511.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-Fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol
CID 137128059
2-[[6-[2-[[6-(2,3-Difluoro-4-pyridinyl)-1,5-naphthyridin-3-yl]methyl]-4-pyridinyl]-5-fluoro-3-pyridinyl]methylamino]-4-(1,5-naphthyridin-2-yl)pyridin-3-ol
CID 137221570
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 157090280
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157288646
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157721751
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159223949
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 159568719
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160573310
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4,4-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 165092389
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 167556282
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 167566222
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 167686248

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 163765301) is 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one is CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cncnc2[nH]c1=O.CC(C)c1cc2nccnc2[nH]c1=O.CC(C)c1nc2cccnc2cc1O.CC(C)c1nc2ncncc2cc1O.
What is the InChIKey of 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MBTAOKYGCCJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H12N2O.3C10H11N3O/c1-7(2)11-10(14)6-9-8(13-11)4-3-5-12-9;2*1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;1-6(2)9-8(14)3-7-4-11-5-12-10(7)13-9;1-6(2)8-3-7-4-11-5-12-9(7)13-10(8)14;1-6(2)7-5-8-9(13-10(7)14)12-4-3-11-8/h3-7,14H,1-2H3;2*3-7H,1-2H3,(H,12,13,14);3-6,14H,1-2H3;3-6H,1-2H3,(H,11,12,13,14);3-6H,1-2H3,(H,12,13,14).
What are the key properties of 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1132.34 g/mol, XLogP of 11.29, 6 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,5-naphthyridin-3-ol;bis(3-propan-2-yl-1H-1,8-naphthyridin-2-one);7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one;7-propan-2-ylpyrido[2,3-d]pyrimidin-6-ol;6-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163765301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).