5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide

C25H31N7O3 — CID 66589888

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESCOc1cc(CCc2cc(NC(=O)c3cnc(N4CCN5CCCC5C4)cn3)n[nH]2)cc(OC)c1
InChIInChI=1S/C25H31N7O3/c1-34-20-10-17(11-21(13-20)35-2)5-6-18-12-23(30-29-18)28-25(33)22-14-27-24(15-26-22)32-9-8-31-7-3-4-19(31)16-32/h10-15,19H,3-9,16H2,1-2H3,(H2,28,29,30,33)
InChIKeyAABBJGRKPVKZBZ-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.54
Rot. Bonds8

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide (PubChem CID 66589888) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
PubChem CID66589888
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESCOc1cc(CCc2cc(NC(=O)c3cnc(N4CCN5CCCC5C4)cn3)n[nH]2)cc(OC)c1
InChIInChI=1S/C25H31N7O3/c1-34-20-10-17(11-21(13-20)35-2)5-6-18-12-23(30-29-18)28-25(33)22-14-27-24(15-26-22)32-9-8-31-7-3-4-19(31)16-32/h10-15,19H,3-9,16H2,1-2H3,(H2,28,29,30,33)
InChIKeyAABBJGRKPVKZBZ-UHFFFAOYSA-N
XLogP2.54
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide (CID 66589888) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide is COc1cc(CCc2cc(NC(=O)c3cnc(N4CCN5CCCC5C4)cn3)n[nH]2)cc(OC)c1.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is AABBJGRKPVKZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-34-20-10-17(11-21(13-20)35-2)5-6-18-12-23(30-29-18)28-25(33)22-14-27-24(15-26-22)32-9-8-31-7-3-4-19(31)16-32/h10-15,19H,3-9,16H2,1-2H3,(H2,28,29,30,33).
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 66589888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).