4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine

C17H16F3N5O — CID 145473915

IUPAC4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine
SMILESCc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2occc12
InChIInChI=1S/C17H16F3N5O/c1-11-13-4-9-26-15(13)16(23-22-11)25-7-5-24(6-8-25)14-3-2-12(10-21-14)17(18,19)20/h2-4,9-10H,5-8H2,1H3
InChIKeyOGVGVMICHKAQSG-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.27
Rot. Bonds2

About 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine

4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine (PubChem CID 145473915) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine.

Molecular Properties

Compound Name4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine
PubChem CID145473915
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine
SMILESCc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2occc12
InChIInChI=1S/C17H16F3N5O/c1-11-13-4-9-26-15(13)16(23-22-11)25-7-5-24(6-8-25)14-3-2-12(10-21-14)17(18,19)20/h2-4,9-10H,5-8H2,1H3
InChIKeyOGVGVMICHKAQSG-UHFFFAOYSA-N
XLogP3.27
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine?
The IUPAC name of 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine (CID 145473915) is 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine.
What is the SMILES notation for 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine?
The canonical SMILES for 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine is Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2occc12.
What is the InChIKey of 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine?
The InChIKey is OGVGVMICHKAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-11-13-4-9-26-15(13)16(23-22-11)25-7-5-24(6-8-25)14-3-2-12(10-21-14)17(18,19)20/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine?
4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine has a molecular weight of 363.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]furo[2,3-d]pyridazine is sourced from PubChem (CID 145473915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).