2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one

C20H21N9O — CID 126920175

IUPAC2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)c(NCC3CN(c4ccc(-c5ccncc5)nn4)C3)nc2n1
InChIInChI=1S/C20H21N9O/c1-27-12-15-18(26-27)23-20(28(2)19(15)30)22-9-13-10-29(11-13)17-4-3-16(24-25-17)14-5-7-21-8-6-14/h3-8,12-13H,9-11H2,1-2H3,(H,22,23,26)
InChIKeyHPAVXCWTQDSPQO-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.07
Rot. Bonds5

About 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one

2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 126920175) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID126920175
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)c(NCC3CN(c4ccc(-c5ccncc5)nn4)C3)nc2n1
InChIInChI=1S/C20H21N9O/c1-27-12-15-18(26-27)23-20(28(2)19(15)30)22-9-13-10-29(11-13)17-4-3-16(24-25-17)14-5-7-21-8-6-14/h3-8,12-13H,9-11H2,1-2H3,(H,22,23,26)
InChIKeyHPAVXCWTQDSPQO-UHFFFAOYSA-N
XLogP1.07
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126920179
2,5-dimethyl-6-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126921063
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrimidin-2-amine
CID 126920018
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030
2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 126920091
5,6-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126920177
1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
CID 126920097
3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one
CID 126921073
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126922637
6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920140
1-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 126919959
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
CID 126920188

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one (CID 126920175) is 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one is Cn1cc2c(=O)n(C)c(NCC3CN(c4ccc(-c5ccncc5)nn4)C3)nc2n1.
What is the InChIKey of 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is HPAVXCWTQDSPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-27-12-15-18(26-27)23-20(28(2)19(15)30)22-9-13-10-29(11-13)17-4-3-16(24-25-17)14-5-7-21-8-6-14/h3-8,12-13H,9-11H2,1-2H3,(H,22,23,26).
What are the key properties of 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one?
2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 403.45 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126920175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).