(3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine

C22H24FN7 — CID 146626137

IUPAC(3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cn2nc(-c3cc(F)c4cc(N5CC[C@H](N(C)C)C5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C22H24FN7/c1-13-7-19(27-30-11-14(2)24-22(13)30)15-8-18(23)17-10-21(26-25-20(17)9-15)29-6-5-16(12-29)28(3)4/h7-11,16H,5-6,12H2,1-4H3/t16-/m0/s1
InChIKeyBXHTXWULIDPRQI-INIZCTEOSA-N
MW405.48 g/mol
LogP3.24
Rot. Bonds3

About (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 146626137) has the molecular formula C22H24FN7 and a molecular weight of 405.48 g/mol. Its IUPAC name is (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID146626137
Molecular FormulaC22H24FN7
Molecular Weight405.48 g/mol
Exact Mass405.21
IUPAC Name(3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cn2nc(-c3cc(F)c4cc(N5CC[C@H](N(C)C)C5)nnc4c3)cc(C)c2n1
InChIInChI=1S/C22H24FN7/c1-13-7-19(27-30-11-14(2)24-22(13)30)15-8-18(23)17-10-21(26-25-20(17)9-15)29-6-5-16(12-29)28(3)4/h7-11,16H,5-6,12H2,1-4H3/t16-/m0/s1
InChIKeyBXHTXWULIDPRQI-INIZCTEOSA-N
XLogP3.24
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine (CID 146626137) is (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine is Cc1cn2nc(-c3cc(F)c4cc(N5CC[C@H](N(C)C)C5)nnc4c3)cc(C)c2n1.
What is the InChIKey of (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BXHTXWULIDPRQI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN7/c1-13-7-19(27-30-11-14(2)24-22(13)30)15-8-18(23)17-10-21(26-25-20(17)9-15)29-6-5-16(12-29)28(3)4/h7-11,16H,5-6,12H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 405.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 146626137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).