N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide

C24H20N8O2 — CID 139222007

IUPACN-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide
SMILES[H]/N=c1\c2cnn(-c3nnc(-c4cccc(OC)c4)cc3C)c2ncn1NC(=O)c1ccccc1
InChIInChI=1S/C24H20N8O2/c1-15-11-20(17-9-6-10-18(12-17)34-2)28-29-22(15)32-23-19(13-27-32)21(25)31(14-26-23)30-24(33)16-7-4-3-5-8-16/h3-14,25H,1-2H3,(H,30,33)/b25-21+
InChIKeyGTNQVPNNEWIFQR-NJNXFGOHSA-N
MW452.48 g/mol
LogP2.86
Rot. Bonds5

About N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide

N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide (PubChem CID 139222007) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide
PubChem CID139222007
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC NameN-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide
SMILES[H]/N=c1\c2cnn(-c3nnc(-c4cccc(OC)c4)cc3C)c2ncn1NC(=O)c1ccccc1
InChIInChI=1S/C24H20N8O2/c1-15-11-20(17-9-6-10-18(12-17)34-2)28-29-22(15)32-23-19(13-27-32)21(25)31(14-26-23)30-24(33)16-7-4-3-5-8-16/h3-14,25H,1-2H3,(H,30,33)/b25-21+
InChIKeyGTNQVPNNEWIFQR-NJNXFGOHSA-N
XLogP2.86
TPSA123.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-imino-6-phenylfuro[2,3-d]pyrimidin-3-yl)-4-methoxybenzamide
CID 170835638
5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile
CID 139221998
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-4-methoxybenzamide
CID 16804233
N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide
CID 139222005
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
CID 6410483
(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10665128
2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131987653
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849

Frequently Asked Questions

What is the IUPAC name of N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
The IUPAC name of N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide (CID 139222007) is N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide is [H]/N=c1\c2cnn(-c3nnc(-c4cccc(OC)c4)cc3C)c2ncn1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
The InChIKey is GTNQVPNNEWIFQR-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H20N8O2/c1-15-11-20(17-9-6-10-18(12-17)34-2)28-29-22(15)32-23-19(13-27-32)21(25)31(14-26-23)30-24(33)16-7-4-3-5-8-16/h3-14,25H,1-2H3,(H,30,33)/b25-21+.
What are the key properties of N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide has a molecular weight of 452.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 139222007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).