1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide

C20H24N6O2 — CID 75202837

IUPAC1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2nccn3cccc23)C1)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C20H24N6O2/c27-20(17-4-10-26(23-17)16-5-12-28-13-6-16)22-15-3-9-25(14-15)19-18-2-1-8-24(18)11-7-21-19/h1-2,4,7-8,10-11,15-16H,3,5-6,9,12-14H2,(H,22,27)
InChIKeyMUVBMSKQFSSGFX-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.89
Rot. Bonds4

About 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide

1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide (PubChem CID 75202837) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
PubChem CID75202837
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2nccn3cccc23)C1)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C20H24N6O2/c27-20(17-4-10-26(23-17)16-5-12-28-13-6-16)22-15-3-9-25(14-15)19-18-2-1-8-24(18)11-7-21-19/h1-2,4,7-8,10-11,15-16H,3,5-6,9,12-14H2,(H,22,27)
InChIKeyMUVBMSKQFSSGFX-UHFFFAOYSA-N
XLogP1.89
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide (CID 75202837) is 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide is O=C(NC1CCN(c2nccn3cccc23)C1)c1ccn(C2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is MUVBMSKQFSSGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-20(17-4-10-26(23-17)16-5-12-28-13-6-16)22-15-3-9-25(14-15)19-18-2-1-8-24(18)11-7-21-19/h1-2,4,7-8,10-11,15-16H,3,5-6,9,12-14H2,(H,22,27).
What are the key properties of 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide?
1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 75202837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).