6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C17H20F2N8O — CID 162669306

IUPAC6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3ccc(N4CCC(N)CC4)nn23)c(C(F)F)n1
InChIInChI=1S/C17H20F2N8O/c1-25-9-11(15(24-25)16(18)19)22-17(28)12-8-21-13-2-3-14(23-27(12)13)26-6-4-10(20)5-7-26/h2-3,8-10,16H,4-7,20H2,1H3,(H,22,28)
InChIKeyPDWRBKUADZPFNF-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.58
Rot. Bonds4

About 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162669306) has the molecular formula C17H20F2N8O and a molecular weight of 390.40 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162669306
Molecular FormulaC17H20F2N8O
Molecular Weight390.40 g/mol
Exact Mass390.17
IUPAC Name6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3ccc(N4CCC(N)CC4)nn23)c(C(F)F)n1
InChIInChI=1S/C17H20F2N8O/c1-25-9-11(15(24-25)16(18)19)22-17(28)12-8-21-13-2-3-14(23-27(12)13)26-6-4-10(20)5-7-26/h2-3,8-10,16H,4-7,20H2,1H3,(H,22,28)
InChIKeyPDWRBKUADZPFNF-UHFFFAOYSA-N
XLogP1.58
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 162669306) is 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cn1cc(NC(=O)c2cnc3ccc(N4CCC(N)CC4)nn23)c(C(F)F)n1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is PDWRBKUADZPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N8O/c1-25-9-11(15(24-25)16(18)19)22-17(28)12-8-21-13-2-3-14(23-27(12)13)26-6-4-10(20)5-7-26/h2-3,8-10,16H,4-7,20H2,1H3,(H,22,28).
What are the key properties of 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162669306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).