N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide

C22H17F2N5O2 — CID 46880958

IUPACN-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1nncc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N5O2/c1-12-2-3-13(21(30)27-15-5-6-15)8-20(12)31-22-16-10-26-29(19(16)11-25-28-22)18-7-4-14(23)9-17(18)24/h2-4,7-11,15H,5-6H2,1H3,(H,27,30)
InChIKeyBNZZRMZLESOOCT-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.09
Rot. Bonds5

About N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide

N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide (PubChem CID 46880958) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide
PubChem CID46880958
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC NameN-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1nncc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N5O2/c1-12-2-3-13(21(30)27-15-5-6-15)8-20(12)31-22-16-10-26-29(19(16)11-25-28-22)18-7-4-14(23)9-17(18)24/h2-4,7-11,15H,5-6H2,1H3,(H,27,30)
InChIKeyBNZZRMZLESOOCT-UHFFFAOYSA-N
XLogP4.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide 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

Arry-371797
CID 46883775
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]benzamide
CID 25014206
N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1H-pyrazolo[4,3-d]pyridazin-4-yloxy)-4-methylbenzamide
CID 46880269
N-cyclopropyl-3-(1-(4-fluorophenyl)-7-methyl-1H-pyrazolo[4,3-d]pyridazin-4-yloxy)-4-methylbenzamide
CID 46880313
N-cyclopropyl-3-(1-(2,4-difluorophenyl)-7-methyl-1H-pyrazolo[4,3-d]pyridazin-4-yloxy)-4-methylbenzamide
CID 46880345
4-chloro-N-cyclopropyl-3-(1-(2,4-difluorophenyl)-1H-pyrazolo[4,3-d]pyridazin-4-yloxy)benzamide
CID 46880959
3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-[4-(1-phenyltriazol-4-yl)butyl]benzamide;hydrochloride
CID 122516967
Emprumapimod
CID 67411502
2-(cyclohexylmethyl)-5-(2,4-difluorophenoxy)-N-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]indazole-6-carboxamide
CID 176205036
US10889564, Example 38
CID 129104739
(R)-4-(1-(1-acryloylpiperidin-3-yl)-1H-pyrazolo[4,3-c]pyridin-3-yl)-N-(3-methoxybenzyl)benzamide
CID 130247763
N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 130271713

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide (CID 46880958) is N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Oc1nncc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide?
The InChIKey is BNZZRMZLESOOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-12-2-3-13(21(30)27-15-5-6-15)8-20(12)31-22-16-10-26-29(19(16)11-25-28-22)18-7-4-14(23)9-17(18)24/h2-4,7-11,15H,5-6H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide?
N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide has a molecular weight of 421.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2,4-difluorophenyl)pyrazolo[3,4-d]pyridazin-4-yl]oxy-4-methylbenzamide is sourced from PubChem (CID 46880958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).