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

C23H23N7O4 — CID 25138170

IUPAC5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(C(N)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H23N7O4/c1-33-16-9-15(10-17(11-16)34-2)28-21-18(20(25)32)22-26-7-8-30(22)23(29-21)27-12-13-3-5-14(6-4-13)19(24)31/h3-11,28H,12H2,1-2H3,(H2,24,31)(H2,25,32)(H,27,29)
InChIKeyFOOUPIPJXNYTGX-UHFFFAOYSA-N
MW461.48 g/mol
LogP2.30
Rot. Bonds9

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

5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138170) has the molecular formula C23H23N7O4 and a molecular weight of 461.48 g/mol. Its IUPAC name is 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138170
Molecular FormulaC23H23N7O4
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(C(N)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H23N7O4/c1-33-16-9-15(10-17(11-16)34-2)28-21-18(20(25)32)22-26-7-8-30(22)23(29-21)27-12-13-3-5-14(6-4-13)19(24)31/h3-11,28H,12H2,1-2H3,(H2,24,31)(H2,25,32)(H,27,29)
InChIKeyFOOUPIPJXNYTGX-UHFFFAOYSA-N
XLogP2.30
TPSA158.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138170) is 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccc(C(N)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is FOOUPIPJXNYTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4/c1-33-16-9-15(10-17(11-16)34-2)28-21-18(20(25)32)22-26-7-8-30(22)23(29-21)27-12-13-3-5-14(6-4-13)19(24)31/h3-11,28H,12H2,1-2H3,(H2,24,31)(H2,25,32)(H,27,29).
What are the key properties of 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 2.30, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamoylphenyl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).