7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide

C22H21FN6O3 — CID 25138159

IUPAC7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H21FN6O3/c1-31-16-9-15(10-17(11-16)32-2)27-20-18(19(24)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-14(23)6-4-13/h3-11,27H,12H2,1-2H3,(H2,24,30)(H,26,28)
InChIKeyKLKNKPQIJSXRNP-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.34
Rot. Bonds8

About 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide

7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138159) has the molecular formula C22H21FN6O3 and a molecular weight of 436.45 g/mol. Its IUPAC name is 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138159
Molecular FormulaC22H21FN6O3
Molecular Weight436.45 g/mol
Exact Mass436.17
IUPAC Name7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H21FN6O3/c1-31-16-9-15(10-17(11-16)32-2)27-20-18(19(24)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-14(23)6-4-13/h3-11,27H,12H2,1-2H3,(H2,24,30)(H,26,28)
InChIKeyKLKNKPQIJSXRNP-UHFFFAOYSA-N
XLogP3.34
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138159) is 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is KLKNKPQIJSXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O3/c1-31-16-9-15(10-17(11-16)32-2)27-20-18(19(24)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-14(23)6-4-13/h3-11,27H,12H2,1-2H3,(H2,24,30)(H,26,28).
What are the key properties of 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyanilino)-5-[(4-fluorophenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).