6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine

C25H31FN6 — CID 138562539

IUPAC6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(Cc4ccc(F)cc4)CC3)C2)nn1
InChIInChI=1S/C25H31FN6/c1-18-22(17-31(2)30-18)23-7-8-24(29-28-23)27-15-20-13-25(14-20)9-11-32(12-10-25)16-19-3-5-21(26)6-4-19/h3-8,17,20H,9-16H2,1-2H3,(H,27,29)
InChIKeyKHBWORMHIDQRAQ-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.43
Rot. Bonds6

About 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine

6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine (PubChem CID 138562539) has the molecular formula C25H31FN6 and a molecular weight of 434.56 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine
PubChem CID138562539
Molecular FormulaC25H31FN6
Molecular Weight434.56 g/mol
Exact Mass434.26
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(Cc4ccc(F)cc4)CC3)C2)nn1
InChIInChI=1S/C25H31FN6/c1-18-22(17-31(2)30-18)23-7-8-24(29-28-23)27-15-20-13-25(14-20)9-11-32(12-10-25)16-19-3-5-21(26)6-4-19/h3-8,17,20H,9-16H2,1-2H3,(H,27,29)
InChIKeyKHBWORMHIDQRAQ-UHFFFAOYSA-N
XLogP4.43
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine (CID 138562539) is 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine is Cc1nn(C)cc1-c1ccc(NCC2CC3(CCN(Cc4ccc(F)cc4)CC3)C2)nn1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine?
The InChIKey is KHBWORMHIDQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6/c1-18-22(17-31(2)30-18)23-7-8-24(29-28-23)27-15-20-13-25(14-20)9-11-32(12-10-25)16-19-3-5-21(26)6-4-19/h3-8,17,20H,9-16H2,1-2H3,(H,27,29).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine?
6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine has a molecular weight of 434.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-N-[[7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 138562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).