[(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C20H23N5O — CID 125010216

IUPAC[(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)n1
InChIInChI=1S/C20H23N5O/c1-14-6-4-7-16(21-14)20(26)25-11-9-15(12-25)17-13-24-10-5-8-18(24)19(22-17)23(2)3/h4-8,10,13,15H,9,11-12H2,1-3H3/t15-/m1/s1
InChIKeyVHWSHGJDXHYUGL-OAHLLOKOSA-N
MW349.44 g/mol
LogP2.73
Rot. Bonds3

About [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 125010216) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID125010216
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)n1
InChIInChI=1S/C20H23N5O/c1-14-6-4-7-16(21-14)20(26)25-11-9-15(12-25)17-13-24-10-5-8-18(24)19(22-17)23(2)3/h4-8,10,13,15H,9,11-12H2,1-3H3/t15-/m1/s1
InChIKeyVHWSHGJDXHYUGL-OAHLLOKOSA-N
XLogP2.73
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110098694
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
(6-methyl-2-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124972501
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
N,N-dimethyl-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125015187
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124963398
N,N-dimethyl-7-[1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110702
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 125010216) is [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)n1.
What is the InChIKey of [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is VHWSHGJDXHYUGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-6-4-7-16(21-14)20(26)25-11-9-15(12-25)17-13-24-10-5-8-18(24)19(22-17)23(2)3/h4-8,10,13,15H,9,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 125010216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).