2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

C24H24FN7O — CID 155287269

IUPAC2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(N5CCN(C6CC6)CC5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C24H24FN7O/c1-30-14-17-10-15(11-19(25)23(17)29-30)16-12-21(33)24(26-13-16)20-4-5-22(28-27-20)32-8-6-31(7-9-32)18-2-3-18/h4-5,10-14,18,33H,2-3,6-9H2,1H3
InChIKeyHFMLSCOYVZXECN-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.22
Rot. Bonds4

About 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (PubChem CID 155287269) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
PubChem CID155287269
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(N5CCN(C6CC6)CC5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C24H24FN7O/c1-30-14-17-10-15(11-19(25)23(17)29-30)16-12-21(33)24(26-13-16)20-4-5-22(28-27-20)32-8-6-31(7-9-32)18-2-3-18/h4-5,10-14,18,33H,2-3,6-9H2,1H3
InChIKeyHFMLSCOYVZXECN-UHFFFAOYSA-N
XLogP3.22
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The IUPAC name of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (CID 155287269) is 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is Cn1cc2cc(-c3cnc(-c4ccc(N5CCN(C6CC6)CC5)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The InChIKey is HFMLSCOYVZXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-30-14-17-10-15(11-19(25)23(17)29-30)16-12-21(33)24(26-13-16)20-4-5-22(28-27-20)32-8-6-31(7-9-32)18-2-3-18/h4-5,10-14,18,33H,2-3,6-9H2,1H3.
What are the key properties of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol has a molecular weight of 445.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 155287269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).