2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol

C18H25N5O — CID 170259554

IUPAC2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol
SMILESCc1cnc(-c2nnc(NC3CCCN(C)C3)c(C)c2C)c(O)c1
InChIInChI=1S/C18H25N5O/c1-11-8-15(24)17(19-9-11)16-12(2)13(3)18(22-21-16)20-14-6-5-7-23(4)10-14/h8-9,14,24H,5-7,10H2,1-4H3,(H,20,22)
InChIKeyCVSNYILJQSPWHJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.68
Rot. Bonds3

About 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol

2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol (PubChem CID 170259554) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol
PubChem CID170259554
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol
SMILESCc1cnc(-c2nnc(NC3CCCN(C)C3)c(C)c2C)c(O)c1
InChIInChI=1S/C18H25N5O/c1-11-8-15(24)17(19-9-11)16-12(2)13(3)18(22-21-16)20-14-6-5-7-23(4)10-14/h8-9,14,24H,5-7,10H2,1-4H3,(H,20,22)
InChIKeyCVSNYILJQSPWHJ-UHFFFAOYSA-N
XLogP2.68
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol with MolForge

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Related Compounds

2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
CID 170259568
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
CID 166460066
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]-6-methylsulfonylphthalazin-1-yl]phenol
CID 175368051
5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile
CID 170382205
2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol
CID 170259546
2-[6-cyclopropyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151402
2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368068
5-bromo-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151317
5-bromo-2-[6-methyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 175368342
5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151238
1-(2,4-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852703

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol?
The IUPAC name of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol (CID 170259554) is 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol.
What is the SMILES notation for 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol?
The canonical SMILES for 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol is Cc1cnc(-c2nnc(NC3CCCN(C)C3)c(C)c2C)c(O)c1.
What is the InChIKey of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol?
The InChIKey is CVSNYILJQSPWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11-8-15(24)17(19-9-11)16-12(2)13(3)18(22-21-16)20-14-6-5-7-23(4)10-14/h8-9,14,24H,5-7,10H2,1-4H3,(H,20,22).
What are the key properties of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol?
2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol has a molecular weight of 327.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol is sourced from PubChem (CID 170259554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).