methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate

C24H24N6O5 — CID 25138168

IUPACmethyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
InChIInChI=1S/C24H24N6O5/c1-33-17-10-16(11-18(12-17)34-2)28-21-19(20(25)31)22-26-8-9-30(22)24(29-21)27-13-14-4-6-15(7-5-14)23(32)35-3/h4-12,28H,13H2,1-3H3,(H2,25,31)(H,27,29)
InChIKeyHWKDAXVZOSNIPQ-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.99
Rot. Bonds9

About methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate

methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate (PubChem CID 25138168) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate
PubChem CID25138168
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Namemethyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
InChIInChI=1S/C24H24N6O5/c1-33-17-10-16(11-18(12-17)34-2)28-21-19(20(25)31)22-26-8-9-30(22)24(29-21)27-13-14-4-6-15(7-5-14)23(32)35-3/h4-12,28H,13H2,1-3H3,(H2,25,31)(H,27,29)
InChIKeyHWKDAXVZOSNIPQ-UHFFFAOYSA-N
XLogP2.99
TPSA142.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate (CID 25138168) is methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate is COC(=O)c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1.
What is the InChIKey of methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate?
The InChIKey is HWKDAXVZOSNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-33-17-10-16(11-18(12-17)34-2)28-21-19(20(25)31)22-26-8-9-30(22)24(29-21)27-13-14-4-6-15(7-5-14)23(32)35-3/h4-12,28H,13H2,1-3H3,(H2,25,31)(H,27,29).
What are the key properties of methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate?
methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate has a molecular weight of 476.49 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]benzoate is sourced from PubChem (CID 25138168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).