2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C20H19F3N6O — CID 131998014

IUPAC2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C2C=CN3C=CC=NC23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C20H19F3N6O/c1-11-9-14(13-5-8-28-7-2-6-24-17(13)28)26-18-15(25-10-29(11)18)19(30)27-16(12-3-4-12)20(21,22)23/h2,5-10,12-13,16-17H,3-4H2,1H3,(H,27,30)
InChIKeyWEQPUEDJPXXTHS-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.95
Rot. Bonds4

About 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131998014) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131998014
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(C2C=CN3C=CC=NC23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C20H19F3N6O/c1-11-9-14(13-5-8-28-7-2-6-24-17(13)28)26-18-15(25-10-29(11)18)19(30)27-16(12-3-4-12)20(21,22)23/h2,5-10,12-13,16-17H,3-4H2,1H3,(H,27,30)
InChIKeyWEQPUEDJPXXTHS-UHFFFAOYSA-N
XLogP2.95
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131998014) is 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(C2C=CN3C=CC=NC23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is WEQPUEDJPXXTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c1-11-9-14(13-5-8-28-7-2-6-24-17(13)28)26-18-15(25-10-29(11)18)19(30)27-16(12-3-4-12)20(21,22)23/h2,5-10,12-13,16-17H,3-4H2,1H3,(H,27,30).
What are the key properties of 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131998014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).