N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C17H19FN6O — CID 131997995

IUPACN-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ncc(F)[nH]2)nc2c(C(=O)NC(C)(C)C3CC3)ncn12
InChIInChI=1S/C17H19FN6O/c1-9-6-11(14-19-7-12(18)22-14)21-15-13(20-8-24(9)15)16(25)23-17(2,3)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,19,22)(H,23,25)
InChIKeyPGMMYZBHNYJPST-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.49
Rot. Bonds4

About N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131997995) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131997995
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2ncc(F)[nH]2)nc2c(C(=O)NC(C)(C)C3CC3)ncn12
InChIInChI=1S/C17H19FN6O/c1-9-6-11(14-19-7-12(18)22-14)21-15-13(20-8-24(9)15)16(25)23-17(2,3)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,19,22)(H,23,25)
InChIKeyPGMMYZBHNYJPST-UHFFFAOYSA-N
XLogP2.49
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131997995) is N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2ncc(F)[nH]2)nc2c(C(=O)NC(C)(C)C3CC3)ncn12.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is PGMMYZBHNYJPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-9-6-11(14-19-7-12(18)22-14)21-15-13(20-8-24(9)15)16(25)23-17(2,3)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,19,22)(H,23,25).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2-(5-fluoro-1H-imidazol-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131997995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).