3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C22H25N7O — CID 167049791

IUPAC3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(Nc3ncc4ccnc(N5CC6CC6C5)c4n3)c(=O)n2C)C1
InChIInChI=1S/C22H25N7O/c1-27-6-4-18-16(10-27)8-17(21(30)28(18)2)25-22-24-9-13-3-5-23-20(19(13)26-22)29-11-14-7-15(14)12-29/h3,5,8-9,14-15H,4,6-7,10-12H2,1-2H3,(H,24,25,26)
InChIKeyWVKGPFVREHTVGJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.91
Rot. Bonds3

About 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 167049791) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID167049791
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(Nc3ncc4ccnc(N5CC6CC6C5)c4n3)c(=O)n2C)C1
InChIInChI=1S/C22H25N7O/c1-27-6-4-18-16(10-27)8-17(21(30)28(18)2)25-22-24-9-13-3-5-23-20(19(13)26-22)29-11-14-7-15(14)12-29/h3,5,8-9,14-15H,4,6-7,10-12H2,1-2H3,(H,24,25,26)
InChIKeyWVKGPFVREHTVGJ-UHFFFAOYSA-N
XLogP1.91
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 174180877
2-[2-[[5-chloro-2-[(1,6-dimethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]phenyl]sulfanylacetic acid
CID 167216728
3-[[5-chloro-4-(2-ethylsulfinylanilino)pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167216916
8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 167049862
6-methyl-3-[[8-[(2R)-2-methylmorpholin-2-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 170430895
1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;6-methoxy-2-methyl-N-(1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 165130160
6-methoxy-2-methyl-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171835
6-methyl-3-[[8-[(2R)-2-methylpiperidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 170795318
8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 170686843
2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
CID 163272413
3-[(3S)-1-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]piperidin-3-yl]-1,3-oxazolidin-2-one
CID 163290956
8-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
CID 163272407

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 167049791) is 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CN1CCc2c(cc(Nc3ncc4ccnc(N5CC6CC6C5)c4n3)c(=O)n2C)C1.
What is the InChIKey of 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is WVKGPFVREHTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-27-6-4-18-16(10-27)8-17(21(30)28(18)2)25-22-24-9-13-3-5-23-20(19(13)26-22)29-11-14-7-15(14)12-29/h3,5,8-9,14-15H,4,6-7,10-12H2,1-2H3,(H,24,25,26).
What are the key properties of 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 403.49 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 167049791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).