(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol

C22H27N7O3 — CID 123371313

IUPAC(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cnnc(C(O)C2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C22H27N7O3/c1-31-17-12-20(24-23-13-17)21(30)15-3-2-6-29(14-15)22-18-5-4-16(11-19(18)25-27-26-22)28-7-9-32-10-8-28/h4-5,11-13,15,21,30H,2-3,6-10,14H2,1H3
InChIKeyMBGINOBSYHDGBH-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.61
Rot. Bonds5

About (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol

(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol (PubChem CID 123371313) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
PubChem CID123371313
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cnnc(C(O)C2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C22H27N7O3/c1-31-17-12-20(24-23-13-17)21(30)15-3-2-6-29(14-15)22-18-5-4-16(11-19(18)25-27-26-22)28-7-9-32-10-8-28/h4-5,11-13,15,21,30H,2-3,6-10,14H2,1H3
InChIKeyMBGINOBSYHDGBH-UHFFFAOYSA-N
XLogP1.61
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol 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

[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
CID 123428635
6-[hydroxy-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 123268540
(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 90417459
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
CID 123272311
(R)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 71571150
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203396
4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202760
(1S)-1-[(3S)-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-3-yl]ethanol
CID 97250145
4-(4-chlorocinnolin-7-yl)morpholine
CID 164929970
4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202759
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088

Frequently Asked Questions

What is the IUPAC name of (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol (CID 123371313) is (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol is COc1cnnc(C(O)C2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)c1.
What is the InChIKey of (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
The InChIKey is MBGINOBSYHDGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-31-17-12-20(24-23-13-17)21(30)15-3-2-6-29(14-15)22-18-5-4-16(11-19(18)25-27-26-22)28-7-9-32-10-8-28/h4-5,11-13,15,21,30H,2-3,6-10,14H2,1H3.
What are the key properties of (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol has a molecular weight of 437.50 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 123371313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).