N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C18H18FN5O — CID 131988070

IUPACN-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cncc(F)c2)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C18H18FN5O/c1-10-5-15(13-6-14(19)8-20-7-13)23-17-16(21-9-24(10)17)18(25)22-11(2)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyUYLSIAWJVTVXOO-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.77
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131988070) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131988070
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cncc(F)c2)nc2c(C(=O)NC(C)C3CC3)ncn12
InChIInChI=1S/C18H18FN5O/c1-10-5-15(13-6-14(19)8-20-7-13)23-17-16(21-9-24(10)17)18(25)22-11(2)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyUYLSIAWJVTVXOO-UHFFFAOYSA-N
XLogP2.77
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131988070) is N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2cncc(F)c2)nc2c(C(=O)NC(C)C3CC3)ncn12.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is UYLSIAWJVTVXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-10-5-15(13-6-14(19)8-20-7-13)23-17-16(21-9-24(10)17)18(25)22-11(2)12-3-4-12/h5-9,11-12H,3-4H2,1-2H3,(H,22,25).
What are the key properties of N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131988070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).