N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

C19H23N5O2 — CID 56912355

IUPACN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cn2c(n1)CNCC2
InChIInChI=1S/C19H23N5O2/c25-18(16-13-24-10-7-20-12-17(24)22-16)21-11-14-3-5-15(6-4-14)19(26)23-8-1-2-9-23/h3-6,13,20H,1-2,7-12H2,(H,21,25)
InChIKeyJMFFBERXUNXSRT-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.15
Rot. Bonds4

About N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56912355) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56912355
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cn2c(n1)CNCC2
InChIInChI=1S/C19H23N5O2/c25-18(16-13-24-10-7-20-12-17(24)22-16)21-11-14-3-5-15(6-4-14)19(26)23-8-1-2-9-23/h3-6,13,20H,1-2,7-12H2,(H,21,25)
InChIKeyJMFFBERXUNXSRT-UHFFFAOYSA-N
XLogP1.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 56912355) is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cn2c(n1)CNCC2.
What is the InChIKey of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is JMFFBERXUNXSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(16-13-24-10-7-20-12-17(24)22-16)21-11-14-3-5-15(6-4-14)19(26)23-8-1-2-9-23/h3-6,13,20H,1-2,7-12H2,(H,21,25).
What are the key properties of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56912355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).