N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen

C21H23FN4O — CID 145382234

IUPACN-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
SMILESCc1cc(-c2cccc(F)c2)nc2c(C(=O)NC(C3CC3)C3CC3)ncn12.[H][H]
InChIInChI=1S/C21H21FN4O.H2/c1-12-9-17(15-3-2-4-16(22)10-15)24-20-19(23-11-26(12)20)21(27)25-18(13-5-6-13)14-7-8-14;/h2-4,9-11,13-14,18H,5-8H2,1H3,(H,25,27);1H
InChIKeyLILSVZKKZAKSPI-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.01
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen

N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen (PubChem CID 145382234) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
PubChem CID145382234
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
SMILESCc1cc(-c2cccc(F)c2)nc2c(C(=O)NC(C3CC3)C3CC3)ncn12.[H][H]
InChIInChI=1S/C21H21FN4O.H2/c1-12-9-17(15-3-2-4-16(22)10-15)24-20-19(23-11-26(12)20)21(27)25-18(13-5-6-13)14-7-8-14;/h2-4,9-11,13-14,18H,5-8H2,1H3,(H,25,27);1H
InChIKeyLILSVZKKZAKSPI-UHFFFAOYSA-N
XLogP4.01
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
The IUPAC name of N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen (CID 145382234) is N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen is Cc1cc(-c2cccc(F)c2)nc2c(C(=O)NC(C3CC3)C3CC3)ncn12.[H][H].
What is the InChIKey of N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
The InChIKey is LILSVZKKZAKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O.H2/c1-12-9-17(15-3-2-4-16(22)10-15)24-20-19(23-11-26(12)20)21(27)25-18(13-5-6-13)14-7-8-14;/h2-4,9-11,13-14,18H,5-8H2,1H3,(H,25,27);1H.
What are the key properties of N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen?
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen has a molecular weight of 366.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen is sourced from PubChem (CID 145382234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).