2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol

C19H23N7O3S — CID 137029369

IUPAC2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol
SMILESC[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)CCN1S(=O)(=O)c1nccn1C
InChIInChI=1S/C19H23N7O3S/c1-13-12-25(9-10-26(13)30(28,29)19-21-7-8-24(19)2)16-11-15(22-23-18(16)20)14-5-3-4-6-17(14)27/h3-8,11,13,27H,9-10,12H2,1-2H3,(H2,20,23)/t13-/m1/s1
InChIKeyPDOBWSWFCLNRAY-CYBMUJFWSA-N
MW429.51 g/mol
LogP1.06
Rot. Bonds4

About 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029369) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029369
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol
SMILESC[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)CCN1S(=O)(=O)c1nccn1C
InChIInChI=1S/C19H23N7O3S/c1-13-12-25(9-10-26(13)30(28,29)19-21-7-8-24(19)2)16-11-15(22-23-18(16)20)14-5-3-4-6-17(14)27/h3-8,11,13,27H,9-10,12H2,1-2H3,(H2,20,23)/t13-/m1/s1
InChIKeyPDOBWSWFCLNRAY-CYBMUJFWSA-N
XLogP1.06
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol 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

5-(1-Methylpyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536927
4-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenol
CID 136235684
US10308614, Example 75
CID 137029374
US10308614, Example 74
CID 137029377
US10308614, Example 43
CID 137029407
US10308614, Example 107
CID 137029420
US10308614, Example 197
CID 137029445
US10308614, Example 93
CID 137029458
US10308614, Example 68
CID 137029460
2-(6-Amino-5-(8-(thiazol-
CID 137029461
2-(6-Amino-5-(5-(pyridin-
CID 137029472
US10308614, Example 192
CID 137029500

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol (CID 137029369) is 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol is C[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)CCN1S(=O)(=O)c1nccn1C.
What is the InChIKey of 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is PDOBWSWFCLNRAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-13-12-25(9-10-26(13)30(28,29)19-21-7-8-24(19)2)16-11-15(22-23-18(16)20)14-5-3-4-6-17(14)27/h3-8,11,13,27H,9-10,12H2,1-2H3,(H2,20,23)/t13-/m1/s1.
What are the key properties of 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 429.51 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(3R)-3-methyl-4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).