2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C20H25N7O2 — CID 146338989

IUPAC2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3[nH]c4c(c3=O)CN(C)CC4)c2)n1
InChIInChI=1S/C20H25N7O2/c1-12-9-18(21-2)24-20(22-12)23-13-5-6-17(29-4)16(10-13)27-19(28)14-11-26(3)8-7-15(14)25-27/h5-6,9-10,25H,7-8,11H2,1-4H3,(H2,21,22,23,24)
InChIKeyGDTQCNJFJCDFQF-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 146338989) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID146338989
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3[nH]c4c(c3=O)CN(C)CC4)c2)n1
InChIInChI=1S/C20H25N7O2/c1-12-9-18(21-2)24-20(22-12)23-13-5-6-17(29-4)16(10-13)27-19(28)14-11-26(3)8-7-15(14)25-27/h5-6,9-10,25H,7-8,11H2,1-4H3,(H2,21,22,23,24)
InChIKeyGDTQCNJFJCDFQF-UHFFFAOYSA-N
XLogP2.05
TPSA100.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 149305714
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339161
3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide
CID 146339164
2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 145385464
2-N-[4-methoxy-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146338952
N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide
CID 146338976
2-N-[4-methoxy-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339135
(1R)-1-(azetidin-1-yl)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 154616323

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 146338989) is 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CNc1cc(C)nc(Nc2ccc(OC)c(-n3[nH]c4c(c3=O)CN(C)CC4)c2)n1.
What is the InChIKey of 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is GDTQCNJFJCDFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12-9-18(21-2)24-20(22-12)23-13-5-6-17(29-4)16(10-13)27-19(28)14-11-26(3)8-7-15(14)25-27/h5-6,9-10,25H,7-8,11H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 395.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 146338989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).