6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid

C25H27N5O6 — CID 155035457

IUPAC6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C(C)(C)NC4=O)c(C(=O)O)cn2)c(OC)c1
InChIInChI=1S/C25H27N5O6/c1-13-8-18(23(32)30-21(13)22(31)29-25(30,2)3)28-17-10-20(27-12-16(17)24(33)34)26-11-14-6-7-15(35-4)9-19(14)36-5/h6-10,12H,11H2,1-5H3,(H,29,31)(H,33,34)(H2,26,27,28)
InChIKeyANYOCRJPXFHARW-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.06
Rot. Bonds8

About 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid

6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid (PubChem CID 155035457) has the molecular formula C25H27N5O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid
PubChem CID155035457
Molecular FormulaC25H27N5O6
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C(C)(C)NC4=O)c(C(=O)O)cn2)c(OC)c1
InChIInChI=1S/C25H27N5O6/c1-13-8-18(23(32)30-21(13)22(31)29-25(30,2)3)28-17-10-20(27-12-16(17)24(33)34)26-11-14-6-7-15(35-4)9-19(14)36-5/h6-10,12H,11H2,1-5H3,(H,29,31)(H,33,34)(H2,26,27,28)
InChIKeyANYOCRJPXFHARW-UHFFFAOYSA-N
XLogP3.06
TPSA143.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 166877639
6-[[2-[(2,4-dimethoxyphenyl)methylamino]-5-methyl-4-pyridinyl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 166877743
ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 154640277
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 160750705
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
CID 175285325
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid (CID 155035457) is 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid is COc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C(C)(C)NC4=O)c(C(=O)O)cn2)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ANYOCRJPXFHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O6/c1-13-8-18(23(32)30-21(13)22(31)29-25(30,2)3)28-17-10-20(27-12-16(17)24(33)34)26-11-14-6-7-15(35-4)9-19(14)36-5/h6-10,12H,11H2,1-5H3,(H,29,31)(H,33,34)(H2,26,27,28).
What are the key properties of 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 493.52 g/mol, XLogP of 3.06, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 155035457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).