7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C26H25N5O2 — CID 146072592

IUPAC7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cn2c(n1)C(c1ccccc1)N(Cc1ccc(O)cc1)CC2
InChIInChI=1S/C26H25N5O2/c32-22-10-8-19(9-11-22)17-30-13-14-31-18-23(26(33)28-16-20-5-4-12-27-15-20)29-25(31)24(30)21-6-2-1-3-7-21/h1-12,15,18,24,32H,13-14,16-17H2,(H,28,33)
InChIKeyXDVHFLINKPWTCZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.52
Rot. Bonds6

About 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 146072592) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID146072592
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cn2c(n1)C(c1ccccc1)N(Cc1ccc(O)cc1)CC2
InChIInChI=1S/C26H25N5O2/c32-22-10-8-19(9-11-22)17-30-13-14-31-18-23(26(33)28-16-20-5-4-12-27-15-20)29-25(31)24(30)21-6-2-1-3-7-21/h1-12,15,18,24,32H,13-14,16-17H2,(H,28,33)
InChIKeyXDVHFLINKPWTCZ-UHFFFAOYSA-N
XLogP3.52
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-phenyl-N-(pyridin-3-ylmethyl)-7-(1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 146072608
(8S)-8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809087
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate
CID 146072629
8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863960
7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 146072668
8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155862125
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 42849780
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039

Frequently Asked Questions

What is the IUPAC name of 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 146072592) is 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is O=C(NCc1cccnc1)c1cn2c(n1)C(c1ccccc1)N(Cc1ccc(O)cc1)CC2.
What is the InChIKey of 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XDVHFLINKPWTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-22-10-8-19(9-11-22)17-30-13-14-31-18-23(26(33)28-16-20-5-4-12-27-15-20)29-25(31)24(30)21-6-2-1-3-7-21/h1-12,15,18,24,32H,13-14,16-17H2,(H,28,33).
What are the key properties of 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-hydroxyphenyl)methyl]-8-phenyl-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146072592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).