2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one

C22H28N8O3 — CID 146203169

IUPAC2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCOc1cc(Cn2cc(CNc3nc(C)c4c(n3)N(C)CC(=O)N4)cn2)cnc1OC(C)C
InChIInChI=1S/C22H28N8O3/c1-13(2)33-21-17(32-5)6-15(7-23-21)10-30-11-16(9-25-30)8-24-22-26-14(3)19-20(28-22)29(4)12-18(31)27-19/h6-7,9,11,13H,8,10,12H2,1-5H3,(H,27,31)(H,24,26,28)
InChIKeyYBUATFQLOVGSGN-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.22
Rot. Bonds8

About 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one

2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one (PubChem CID 146203169) has the molecular formula C22H28N8O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
PubChem CID146203169
Molecular FormulaC22H28N8O3
Molecular Weight452.52 g/mol
Exact Mass452.23
IUPAC Name2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCOc1cc(Cn2cc(CNc3nc(C)c4c(n3)N(C)CC(=O)N4)cn2)cnc1OC(C)C
InChIInChI=1S/C22H28N8O3/c1-13(2)33-21-17(32-5)6-15(7-23-21)10-30-11-16(9-25-30)8-24-22-26-14(3)19-20(28-22)29(4)12-18(31)27-19/h6-7,9,11,13H,8,10,12H2,1-5H3,(H,27,31)(H,24,26,28)
InChIKeyYBUATFQLOVGSGN-UHFFFAOYSA-N
XLogP2.22
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202798
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 153355865
(7S)-2-[[1-[[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 166026512
4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane
CID 153355531
(7S)-2-[[1-[[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one;sulfane
CID 167646145
4-methyl-8-propyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
CID 146203238
ethyl 8-methyl-6-oxo-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridine-4-carboxylate
CID 153355867
(7S)-7-ethyl-2-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 146203103
2-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 153355641
(7R)-2-[[1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 146194899
7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202740
(7S)-2-[[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 146195125

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one (CID 146203169) is 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one is COc1cc(Cn2cc(CNc3nc(C)c4c(n3)N(C)CC(=O)N4)cn2)cnc1OC(C)C.
What is the InChIKey of 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The InChIKey is YBUATFQLOVGSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3/c1-13(2)33-21-17(32-5)6-15(7-23-21)10-30-11-16(9-25-30)8-24-22-26-14(3)19-20(28-22)29(4)12-18(31)27-19/h6-7,9,11,13H,8,10,12H2,1-5H3,(H,27,31)(H,24,26,28).
What are the key properties of 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one?
2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one has a molecular weight of 452.52 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146203169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).