(2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide

C18H20N6O2 — CID 137029428

IUPAC(2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
InChIInChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-10-12(9-20-24)14-8-15(21-22-17(14)19)13-6-4-5-7-16(13)25/h4-11,25H,1-3H3,(H2,19,22)/t11-/m0/s1
InChIKeyUBFNRPGSFRMZGQ-NSHDSACASA-N
MW352.40 g/mol
LogP1.94
Rot. Bonds4

About (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide

(2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 137029428) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
PubChem CID137029428
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
InChIInChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-10-12(9-20-24)14-8-15(21-22-17(14)19)13-6-4-5-7-16(13)25/h4-11,25H,1-3H3,(H2,19,22)/t11-/m0/s1
InChIKeyUBFNRPGSFRMZGQ-NSHDSACASA-N
XLogP1.94
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide 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

SMARCA2/4-ligand-6
CID 137029367
US10308614, Example 194
CID 137029392
US10308614, Example 188
CID 137029401
US10308614, Example 107
CID 137029420
US10308614, Example 195
CID 137029427
US10308614, Example 197
CID 137029445
US10308614, Example 68
CID 137029460
US10308614, Example 100
CID 137029519
US10308614, Example 48
CID 137029539
US10308614, Example 94
CID 137045975
US10308614, Example 193
CID 137029409
5-[1-(Fluoromethyl)pyrazol-4-yl]-2-[6-(methylamino)pyridazin-3-yl]phenol
CID 155041486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide (CID 137029428) is (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide is C[C@@H](C(=O)N(C)C)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1.
What is the InChIKey of (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is UBFNRPGSFRMZGQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-10-12(9-20-24)14-8-15(21-22-17(14)19)13-6-4-5-7-16(13)25/h4-11,25H,1-3H3,(H2,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
(2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 352.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 137029428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).