2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide

C20H13ClFN5O2 — CID 155967504

IUPAC2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESNC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3F)nc12
InChIInChI=1S/C20H13ClFN5O2/c21-12-6-7-14(13(22)8-12)26-20(29)15-9-16(11-4-2-1-3-5-11)27-10-24-17(18(23)28)19(27)25-15/h1-10H,(H2,23,28)(H,26,29)
InChIKeyHIKZQXUSTHILCX-UHFFFAOYSA-N
MW409.81 g/mol
LogP3.54
Rot. Bonds4

About 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide

2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide (PubChem CID 155967504) has the molecular formula C20H13ClFN5O2 and a molecular weight of 409.81 g/mol. Its IUPAC name is 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
PubChem CID155967504
Molecular FormulaC20H13ClFN5O2
Molecular Weight409.81 g/mol
Exact Mass409.07
IUPAC Name2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESNC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3F)nc12
InChIInChI=1S/C20H13ClFN5O2/c21-12-6-7-14(13(22)8-12)26-20(29)15-9-16(11-4-2-1-3-5-11)27-10-24-17(18(23)28)19(27)25-15/h1-10H,(H2,23,28)(H,26,29)
InChIKeyHIKZQXUSTHILCX-UHFFFAOYSA-N
XLogP3.54
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 14677472
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
N-(2-fluorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400677
1-benzyl-N-(4-chloro-2-fluorophenyl)triazole-4-carboxamide
CID 18152200
1-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419872
4-N-[4-(difluoromethoxy)phenyl]-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25342095
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
N-(4-chloro-2-fluorophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416583
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
N-(4-chloro-2-fluorophenyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 47779560
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The IUPAC name of 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide (CID 155967504) is 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The canonical SMILES for 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide is NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3F)nc12.
What is the InChIKey of 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The InChIKey is HIKZQXUSTHILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN5O2/c21-12-6-7-14(13(22)8-12)26-20(29)15-9-16(11-4-2-1-3-5-11)27-10-24-17(18(23)28)19(27)25-15/h1-10H,(H2,23,28)(H,26,29).
What are the key properties of 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide has a molecular weight of 409.81 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide is sourced from PubChem (CID 155967504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).