[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone

C23H23N5O — CID 110110920

IUPAC[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone
SMILESCN(C)c1nc(C2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12
InChIInChI=1S/C23H23N5O/c1-26(2)22-21-10-5-11-27(21)15-19(25-22)20-9-6-12-28(20)23(29)17-13-16-7-3-4-8-18(16)24-14-17/h3-5,7-8,10-11,13-15,20H,6,9,12H2,1-2H3
InChIKeyYCPYWHWYOOCHBW-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.93
Rot. Bonds3

About [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone

[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 110110920) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone
PubChem CID110110920
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone
SMILESCN(C)c1nc(C2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12
InChIInChI=1S/C23H23N5O/c1-26(2)22-21-10-5-11-27(21)15-19(25-22)20-9-6-12-28(20)23(29)17-13-16-7-3-4-8-18(16)24-14-17/h3-5,7-8,10-11,13-15,20H,6,9,12H2,1-2H3
InChIKeyYCPYWHWYOOCHBW-UHFFFAOYSA-N
XLogP3.93
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125024124
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110098694
1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 110098691
1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124961091
3-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N,N-dimethylpyrrolo[1,2-a]pyrazin-1-amine
CID 124970525
N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 124985854
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
N,N-dimethyl-3-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125009007
(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone
CID 124963279
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110097643
N,N-dimethyl-3-[(2R)-piperidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 129406964

Frequently Asked Questions

What is the IUPAC name of [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone (CID 110110920) is [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone is CN(C)c1nc(C2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12.
What is the InChIKey of [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is YCPYWHWYOOCHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-26(2)22-21-10-5-11-27(21)15-19(25-22)20-9-6-12-28(20)23(29)17-13-16-7-3-4-8-18(16)24-14-17/h3-5,7-8,10-11,13-15,20H,6,9,12H2,1-2H3.
What are the key properties of [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone?
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 385.47 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 110110920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).