N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine

C16H23N5 — CID 164629405

IUPACN-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cn2nc(N[C@H]3CCN(C4CCCC4)C3)ccc2n1
InChIInChI=1S/C16H23N5/c1-12-10-21-16(17-12)7-6-15(19-21)18-13-8-9-20(11-13)14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyYYBBRCBNFXZUPW-ZDUSSCGKSA-N
MW285.39 g/mol
LogP2.47
Rot. Bonds3

About N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine

N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 164629405) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID164629405
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cn2nc(N[C@H]3CCN(C4CCCC4)C3)ccc2n1
InChIInChI=1S/C16H23N5/c1-12-10-21-16(17-12)7-6-15(19-21)18-13-8-9-20(11-13)14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyYYBBRCBNFXZUPW-ZDUSSCGKSA-N
XLogP2.47
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine (CID 164629405) is N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine is Cc1cn2nc(N[C@H]3CCN(C4CCCC4)C3)ccc2n1.
What is the InChIKey of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is YYBBRCBNFXZUPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-10-21-16(17-12)7-6-15(19-21)18-13-8-9-20(11-13)14-4-2-3-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine?
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 285.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-2-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 164629405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).