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

C24H24N6O5 — CID 25138173

IUPAC2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid
SMILESCOc1cc(Nc2nc(NCc3ccc(CC(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C24H24N6O5/c1-34-17-10-16(11-18(12-17)35-2)28-22-20(21(25)33)23-26-7-8-30(23)24(29-22)27-13-15-5-3-14(4-6-15)9-19(31)32/h3-8,10-12,28H,9,13H2,1-2H3,(H2,25,33)(H,27,29)(H,31,32)
InChIKeyPFQHUUDPALIKDR-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.83
Rot. Bonds10

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

2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid (PubChem CID 25138173) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid
PubChem CID25138173
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid
SMILESCOc1cc(Nc2nc(NCc3ccc(CC(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C24H24N6O5/c1-34-17-10-16(11-18(12-17)35-2)28-22-20(21(25)33)23-26-7-8-30(23)24(29-22)27-13-15-5-3-14(4-6-15)9-19(31)32/h3-8,10-12,28H,9,13H2,1-2H3,(H2,25,33)(H,27,29)(H,31,32)
InChIKeyPFQHUUDPALIKDR-UHFFFAOYSA-N
XLogP2.83
TPSA153.10 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid with MolForge

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Related Compounds

2,4-Disubstituted Pyrimidine 2h
CID 5329421
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid (CID 25138173) is 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid is COc1cc(Nc2nc(NCc3ccc(CC(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid?
The InChIKey is PFQHUUDPALIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-34-17-10-16(11-18(12-17)35-2)28-22-20(21(25)33)23-26-7-8-30(23)24(29-22)27-13-15-5-3-14(4-6-15)9-19(31)32/h3-8,10-12,28H,9,13H2,1-2H3,(H2,25,33)(H,27,29)(H,31,32).
What are the key properties of 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid?
2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid has a molecular weight of 476.49 g/mol, XLogP of 2.83, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[8-carbamoyl-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 25138173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).