3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

C20H27N7 — CID 73357071

IUPAC3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4cnn(C5CCCC5)c4)n3n2)CC1
InChIInChI=1S/C20H27N7/c1-25-10-8-16(9-11-25)23-19-6-7-20-21-13-18(27(20)24-19)15-12-22-26(14-15)17-4-2-3-5-17/h6-7,12-14,16-17H,2-5,8-11H2,1H3,(H,23,24)
InChIKeyQHDIANPQDMRPCW-UHFFFAOYSA-N
MW365.49 g/mol
LogP3.21
Rot. Bonds4

About 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 73357071) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID73357071
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4cnn(C5CCCC5)c4)n3n2)CC1
InChIInChI=1S/C20H27N7/c1-25-10-8-16(9-11-25)23-19-6-7-20-21-13-18(27(20)24-19)15-12-22-26(14-15)17-4-2-3-5-17/h6-7,12-14,16-17H,2-5,8-11H2,1H3,(H,23,24)
InChIKeyQHDIANPQDMRPCW-UHFFFAOYSA-N
XLogP3.21
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 73357071) is 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4cnn(C5CCCC5)c4)n3n2)CC1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is QHDIANPQDMRPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-25-10-8-16(9-11-25)23-19-6-7-20-21-13-18(27(20)24-19)15-12-22-26(14-15)17-4-2-3-5-17/h6-7,12-14,16-17H,2-5,8-11H2,1H3,(H,23,24).
What are the key properties of 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 365.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 73357071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).