5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide

C22H27N5O4 — CID 91909694

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(Cc2c(C)n[nH]c2C)o1
InChIInChI=1S/C22H27N5O4/c1-14-18(15(2)25-24-14)11-17-6-7-20(31-17)21(28)23-12-16-13-26-8-4-5-19(26)22(29)27(16)9-10-30-3/h4-8,16H,9-13H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyVRIRPULETOHRTO-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.91
Rot. Bonds8

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide (PubChem CID 91909694) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide
PubChem CID91909694
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(Cc2c(C)n[nH]c2C)o1
InChIInChI=1S/C22H27N5O4/c1-14-18(15(2)25-24-14)11-17-6-7-20(31-17)21(28)23-12-16-13-26-8-4-5-19(26)22(29)27(16)9-10-30-3/h4-8,16H,9-13H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyVRIRPULETOHRTO-UHFFFAOYSA-N
XLogP1.91
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide (CID 91909694) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide is COCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(Cc2c(C)n[nH]c2C)o1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is VRIRPULETOHRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-14-18(15(2)25-24-14)11-17-6-7-20(31-17)21(28)23-12-16-13-26-8-4-5-19(26)22(29)27(16)9-10-30-3/h4-8,16H,9-13H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 91909694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).