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

C21H27N7 — CID 53357955

IUPAC3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(NCC5CC5)nc4)n3n2)CC1
InChIInChI=1S/C21H27N7/c1-27-10-8-17(9-11-27)25-20-6-7-21-24-14-18(28(21)26-20)16-4-5-19(23-13-16)22-12-15-2-3-15/h4-7,13-15,17H,2-3,8-12H2,1H3,(H,22,23)(H,25,26)
InChIKeyJQVDWTIDMOFTDJ-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.12
Rot. Bonds6

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

3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 53357955) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID53357955
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC Name3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(NCC5CC5)nc4)n3n2)CC1
InChIInChI=1S/C21H27N7/c1-27-10-8-17(9-11-27)25-20-6-7-21-24-14-18(28(21)26-20)16-4-5-19(23-13-16)22-12-15-2-3-15/h4-7,13-15,17H,2-3,8-12H2,1H3,(H,22,23)(H,25,26)
InChIKeyJQVDWTIDMOFTDJ-UHFFFAOYSA-N
XLogP3.12
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 53357955) is 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4ccc(NCC5CC5)nc4)n3n2)CC1.
What is the InChIKey of 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is JQVDWTIDMOFTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-27-10-8-17(9-11-27)25-20-6-7-21-24-14-18(28(21)26-20)16-4-5-19(23-13-16)22-12-15-2-3-15/h4-7,13-15,17H,2-3,8-12H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 377.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 53357955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).