[2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol

C21H22N6O — CID 139323954

IUPAC[2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol
SMILESCC(CNc1ccc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccccc1CO
InChIInChI=1S/C21H22N6O/c1-13(16-5-3-2-4-15(16)12-28)11-23-20-9-8-18(24-26-20)14-6-7-19-17(10-14)21(22)27-25-19/h2-10,13,28H,11-12H2,1H3,(H,23,26)(H3,22,25,27)
InChIKeyYLCFRLFCPNONSA-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.31
Rot. Bonds6

About [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol

[2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol (PubChem CID 139323954) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol
PubChem CID139323954
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol
SMILESCC(CNc1ccc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccccc1CO
InChIInChI=1S/C21H22N6O/c1-13(16-5-3-2-4-15(16)12-28)11-23-20-9-8-18(24-26-20)14-6-7-19-17(10-14)21(22)27-25-19/h2-10,13,28H,11-12H2,1H3,(H,23,26)(H3,22,25,27)
InChIKeyYLCFRLFCPNONSA-UHFFFAOYSA-N
XLogP3.31
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]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

[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
CID 139323753
[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
CID 139323710
tert-butyl N-[2-[[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-1H-indazol-3-yl]amino]ethyl]carbamate
CID 139323915
5-[2-(propan-2-ylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 170352224
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
8-[(2S)-1-[[6-[6-amino-5-(hydroxymethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;sulfane
CID 158899251
3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139323754
5-(3-amino-1H-indazol-5-yl)-N-ethyl-1,3,4-oxadiazol-2-amine
CID 25108868
3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139324046
2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970792
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970

Frequently Asked Questions

What is the IUPAC name of [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol?
The IUPAC name of [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol (CID 139323954) is [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol?
The canonical SMILES for [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol is CC(CNc1ccc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccccc1CO.
What is the InChIKey of [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol?
The InChIKey is YLCFRLFCPNONSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13(16-5-3-2-4-15(16)12-28)11-23-20-9-8-18(24-26-20)14-6-7-19-17(10-14)21(22)27-25-19/h2-10,13,28H,11-12H2,1H3,(H,23,26)(H3,22,25,27).
What are the key properties of [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol?
[2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol has a molecular weight of 374.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol is sourced from PubChem (CID 139323954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).