2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline

C21H21N7 — CID 126557215

IUPAC2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2nc(C[C@H](C)c3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C21H21N7/c1-12(10-18-24-21-14(3)23-11-13(2)28(21)26-18)20-25-19-15-6-5-9-22-16(15)7-8-17(19)27(20)4/h5-9,11-12H,10H2,1-4H3/t12-/m0/s1
InChIKeyHAUUGSWULGALGI-LBPRGKRZSA-N
MW371.45 g/mol
LogP3.52
Rot. Bonds3

About 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline

2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 126557215) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline
PubChem CID126557215
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2nc(C[C@H](C)c3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C21H21N7/c1-12(10-18-24-21-14(3)23-11-13(2)28(21)26-18)20-25-19-15-6-5-9-22-16(15)7-8-17(19)27(20)4/h5-9,11-12H,10H2,1-4H3/t12-/m0/s1
InChIKeyHAUUGSWULGALGI-LBPRGKRZSA-N
XLogP3.52
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline (CID 126557215) is 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline is Cc1ncc(C)n2nc(C[C@H](C)c3nc4c5cccnc5ccc4n3C)nc12.
What is the InChIKey of 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is HAUUGSWULGALGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21N7/c1-12(10-18-24-21-14(3)23-11-13(2)28(21)26-18)20-25-19-15-6-5-9-22-16(15)7-8-17(19)27(20)4/h5-9,11-12H,10H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline?
2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 371.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 126557215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).