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

C23H24N6O5S — CID 25138167

IUPAC7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H24N6O5S/c1-33-16-10-15(11-17(12-16)34-2)27-21-19(20(24)30)22-25-8-9-29(22)23(28-21)26-13-14-4-6-18(7-5-14)35(3,31)32/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28)
InChIKeyAVBQIXRIBVZIBA-UHFFFAOYSA-N
MW496.55 g/mol
LogP2.60
Rot. Bonds9

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

7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138167) has the molecular formula C23H24N6O5S and a molecular weight of 496.55 g/mol. Its IUPAC name is 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138167
Molecular FormulaC23H24N6O5S
Molecular Weight496.55 g/mol
Exact Mass496.15
IUPAC Name7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H24N6O5S/c1-33-16-10-15(11-17(12-16)34-2)27-21-19(20(24)30)22-25-8-9-29(22)23(28-21)26-13-14-4-6-18(7-5-14)35(3,31)32/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28)
InChIKeyAVBQIXRIBVZIBA-UHFFFAOYSA-N
XLogP2.60
TPSA149.94 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

Imidazo[1,2-c]pyrimidine-8-carboxamide, 27
CID 10005715
Imidazo[1,2-c]pyrimidine-8-carboxamide, 26
CID 10075240
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10j
CID 10253089
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10d
CID 25138154
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10o
CID 9866765
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10c
CID 25138153
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10g
CID 25138157
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10h
CID 25138158
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10i
CID 25138159
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10k
CID 25138160
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10l
CID 25138161
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10m
CID 25138162

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138167) is 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is AVBQIXRIBVZIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5S/c1-33-16-10-15(11-17(12-16)34-2)27-21-19(20(24)30)22-25-8-9-29(22)23(28-21)26-13-14-4-6-18(7-5-14)35(3,31)32/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28).
What are the key properties of 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyanilino)-5-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).