ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

C18H25N7 — CID 164537015

IUPACethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC.CNc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C16H19N7.C2H6/c1-17-14-5-6-16-19-10-13(23(16)22-14)12-3-2-4-15(21-12)20-11-7-8-18-9-11;1-2/h2-6,10-11,18H,7-9H2,1H3,(H,17,22)(H,20,21);1-2H3
InChIKeyDRXPTBYSEVNXAF-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.63
Rot. Bonds4

About ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 164537015) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID164537015
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Nameethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC.CNc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C16H19N7.C2H6/c1-17-14-5-6-16-19-10-13(23(16)22-14)12-3-2-4-15(21-12)20-11-7-8-18-9-11;1-2/h2-6,10-11,18H,7-9H2,1H3,(H,17,22)(H,20,21);1-2H3
InChIKeyDRXPTBYSEVNXAF-UHFFFAOYSA-N
XLogP2.63
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (CID 164537015) is ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is CC.CNc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1.
What is the InChIKey of ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DRXPTBYSEVNXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7.C2H6/c1-17-14-5-6-16-19-10-13(23(16)22-14)12-3-2-4-15(21-12)20-11-7-8-18-9-11;1-2/h2-6,10-11,18H,7-9H2,1H3,(H,17,22)(H,20,21);1-2H3.
What are the key properties of ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 339.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 164537015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).