[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone

C19H19N5O — CID 124998253

IUPAC[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCn1ccnc1-c1nccnc1[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H19N5O/c1-23-13-11-22-18(23)17-16(20-9-10-21-17)15-8-5-12-24(15)19(25)14-6-3-2-4-7-14/h2-4,6-7,9-11,13,15H,5,8,12H2,1H3/t15-/m0/s1
InChIKeyRGKYXEGWRBNPDR-HNNXBMFYSA-N
MW333.40 g/mol
LogP2.85
Rot. Bonds3

About [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone

[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 124998253) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID124998253
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCn1ccnc1-c1nccnc1[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H19N5O/c1-23-13-11-22-18(23)17-16(20-9-10-21-17)15-8-5-12-24(15)19(25)14-6-3-2-4-7-14/h2-4,6-7,9-11,13,15H,5,8,12H2,1H3/t15-/m0/s1
InChIKeyRGKYXEGWRBNPDR-HNNXBMFYSA-N
XLogP2.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110099808
(2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl)-phenylmethanone
CID 110100074
2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124941674
[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125167205
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110574
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
CID 102541984
3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 124985271
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 75398360
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890
[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124961482

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone (CID 124998253) is [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone is Cn1ccnc1-c1nccnc1[C@@H]1CCCN1C(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is RGKYXEGWRBNPDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-13-11-22-18(23)17-16(20-9-10-21-17)15-8-5-12-24(15)19(25)14-6-3-2-4-7-14/h2-4,6-7,9-11,13,15H,5,8,12H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 333.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 124998253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).