2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

C23H26N6O5 — CID 175534607

IUPAC2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESC=C(C)c1nc2c(c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)n1)CCN(C(=O)O)C2
InChIInChI=1S/C23H26N6O5/c1-13(2)21-25-16-10-28(23(30)31)7-6-15(16)22(27-21)26-19-11-29(12-24-19)14-8-17(32-3)20(34-5)18(9-14)33-4/h8-9,11-12H,1,6-7,10H2,2-5H3,(H,30,31)(H,25,26,27)
InChIKeyMUVOUAOFGRLAKX-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.50
Rot. Bonds7

About 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 175534607) has the molecular formula C23H26N6O5 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID175534607
Molecular FormulaC23H26N6O5
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESC=C(C)c1nc2c(c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)n1)CCN(C(=O)O)C2
InChIInChI=1S/C23H26N6O5/c1-13(2)21-25-16-10-28(23(30)31)7-6-15(16)22(27-21)26-19-11-29(12-24-19)14-8-17(32-3)20(34-5)18(9-14)33-4/h8-9,11-12H,1,6-7,10H2,2-5H3,(H,30,31)(H,25,26,27)
InChIKeyMUVOUAOFGRLAKX-UHFFFAOYSA-N
XLogP3.50
TPSA123.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 175534607) is 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is C=C(C)c1nc2c(c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)n1)CCN(C(=O)O)C2.
What is the InChIKey of 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is MUVOUAOFGRLAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5/c1-13(2)21-25-16-10-28(23(30)31)7-6-15(16)22(27-21)26-19-11-29(12-24-19)14-8-17(32-3)20(34-5)18(9-14)33-4/h8-9,11-12H,1,6-7,10H2,2-5H3,(H,30,31)(H,25,26,27).
What are the key properties of 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 466.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 175534607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).