7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C19H23N5O2 — CID 95220070

IUPAC7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESNC(=O)c1cnc2n1CCN(C(=O)CN1CC[C@H](c3ccccc3)C1)C2
InChIInChI=1S/C19H23N5O2/c20-19(26)16-10-21-17-12-23(8-9-24(16)17)18(25)13-22-7-6-15(11-22)14-4-2-1-3-5-14/h1-5,10,15H,6-9,11-13H2,(H2,20,26)/t15-/m0/s1
InChIKeyLNOAYBCVXTVZTA-HNNXBMFYSA-N
MW353.43 g/mol
LogP0.81
Rot. Bonds4

About 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 95220070) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID95220070
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESNC(=O)c1cnc2n1CCN(C(=O)CN1CC[C@H](c3ccccc3)C1)C2
InChIInChI=1S/C19H23N5O2/c20-19(26)16-10-21-17-12-23(8-9-24(16)17)18(25)13-22-7-6-15(11-22)14-4-2-1-3-5-14/h1-5,10,15H,6-9,11-13H2,(H2,20,26)/t15-/m0/s1
InChIKeyLNOAYBCVXTVZTA-HNNXBMFYSA-N
XLogP0.81
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 95220070) is 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is NC(=O)c1cnc2n1CCN(C(=O)CN1CC[C@H](c3ccccc3)C1)C2.
What is the InChIKey of 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is LNOAYBCVXTVZTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-19(26)16-10-21-17-12-23(8-9-24(16)17)18(25)13-22-7-6-15(11-22)14-4-2-1-3-5-14/h1-5,10,15H,6-9,11-13H2,(H2,20,26)/t15-/m0/s1.
What are the key properties of 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3R)-3-phenylpyrrolidin-1-yl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 95220070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).