2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol

C23H25N7O — CID 137029419

IUPAC2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCn1ncc2cc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)ccc21
InChIInChI=1S/C23H25N7O/c1-28-20-7-6-16(12-17(20)14-25-28)15-29-8-10-30(11-9-29)21-13-19(26-27-23(21)24)18-4-2-3-5-22(18)31/h2-7,12-14,31H,8-11,15H2,1H3,(H2,24,27)
InChIKeyBXDJJCULDWLNFA-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.64
Rot. Bonds4

About 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029419) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029419
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCn1ncc2cc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)ccc21
InChIInChI=1S/C23H25N7O/c1-28-20-7-6-16(12-17(20)14-25-28)15-29-8-10-30(11-9-29)21-13-19(26-27-23(21)24)18-4-2-3-5-22(18)31/h2-7,12-14,31H,8-11,15H2,1H3,(H2,24,27)
InChIKeyBXDJJCULDWLNFA-UHFFFAOYSA-N
XLogP2.64
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (CID 137029419) is 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is Cn1ncc2cc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)ccc21.
What is the InChIKey of 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is BXDJJCULDWLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-28-20-7-6-16(12-17(20)14-25-28)15-29-8-10-30(11-9-29)21-13-19(26-27-23(21)24)18-4-2-3-5-22(18)31/h2-7,12-14,31H,8-11,15H2,1H3,(H2,24,27).
What are the key properties of 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 415.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-[(1-methylindazol-5-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).