N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C21H23N7 — CID 10215776

IUPACN-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCN(CC)Cc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-9-17(10-8-16)25-21-22-13-11-19(26-21)18-14-24-28-20(18)6-5-12-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)
InChIKeyDQKZVZRKPRQVEU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.77
Rot. Bonds7

About N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 10215776) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID10215776
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC NameN-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCN(CC)Cc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-9-17(10-8-16)25-21-22-13-11-19(26-21)18-14-24-28-20(18)6-5-12-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)
InChIKeyDQKZVZRKPRQVEU-UHFFFAOYSA-N
XLogP3.77
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Avapritinib
CID 118023034
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
R121919
CID 9821250
Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 30
CID 6539372
Pyrazolo[1,5-b]pyridazine deriv. 34
CID 6539376
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 10215776) is N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CCN(CC)Cc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.
What is the InChIKey of N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is DQKZVZRKPRQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-9-17(10-8-16)25-21-22-13-11-19(26-21)18-14-24-28-20(18)6-5-12-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26).
What are the key properties of N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylaminomethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 10215776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).