3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol

C22H24N4O2 — CID 167137978

IUPAC3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol
SMILESCOc1cc(C2CC2)ccc1-c1nnc(NC2CC(C)(O)C2)c2cnccc12
InChIInChI=1S/C22H24N4O2/c1-22(27)10-15(11-22)24-21-18-12-23-8-7-16(18)20(25-26-21)17-6-5-14(13-3-4-13)9-19(17)28-2/h5-9,12-13,15,27H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyGUCIMXQHTSLTRZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.90
Rot. Bonds5

About 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol

3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol (PubChem CID 167137978) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol
PubChem CID167137978
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol
SMILESCOc1cc(C2CC2)ccc1-c1nnc(NC2CC(C)(O)C2)c2cnccc12
InChIInChI=1S/C22H24N4O2/c1-22(27)10-15(11-22)24-21-18-12-23-8-7-16(18)20(25-26-21)17-6-5-14(13-3-4-13)9-19(17)28-2/h5-9,12-13,15,27H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyGUCIMXQHTSLTRZ-UHFFFAOYSA-N
XLogP3.90
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,6-dimethyloxan-3-yl)-1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 170172737
1-(2-methoxy-4-methylphenyl)-N-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171553774
4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine
CID 166151208
tert-butyl (3R)-3-[[1-(2-methoxy-4-methylphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]piperidine-1-carboxylate
CID 166151316
tert-butyl (3R)-3-[[1-(4-bromo-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]piperidine-1-carboxylate
CID 166151271
5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 174213852
5-(2,2-difluoroethenyl)-2-[4-[(3-hydroxy-3-methylcyclobutyl)amino]phthalazin-1-yl]phenol
CID 170022472
formic acid;5-methoxy-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 175599345
tert-butyl (3R)-3-[[7-cyclopropyl-4-(2-methoxy-4-methylphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 166151209
N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]-1-[2-methoxy-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine;formic acid
CID 175849958
3-[[[1-[2-methoxy-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]amino]methyl]oxolan-3-ol
CID 171830805
5-chloro-2-[4-(oxolan-3-ylamino)pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171553769

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol (CID 167137978) is 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol is COc1cc(C2CC2)ccc1-c1nnc(NC2CC(C)(O)C2)c2cnccc12.
What is the InChIKey of 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol?
The InChIKey is GUCIMXQHTSLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(27)10-15(11-22)24-21-18-12-23-8-7-16(18)20(25-26-21)17-6-5-14(13-3-4-13)9-19(17)28-2/h5-9,12-13,15,27H,3-4,10-11H2,1-2H3,(H,24,26).
What are the key properties of 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol?
3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol has a molecular weight of 376.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-cyclopropyl-2-methoxyphenyl)pyrido[3,4-d]pyridazin-4-yl]amino]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 167137978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).