2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid

C22H29N7O5 — CID 155567272

IUPAC2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)O)cnc2n1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H29N7O5/c1-6-29-16(10-13(2)27-29)18(30)26-20-25-15-11-14(19(31)32)12-24-17(15)28(20)9-7-8-23-21(33)34-22(3,4)5/h10-12H,6-9H2,1-5H3,(H,23,33)(H,31,32)(H,25,26,30)
InChIKeySSWKNXZVFJIXTL-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.82
Rot. Bonds8

About 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid

2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 155567272) has the molecular formula C22H29N7O5 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID155567272
Molecular FormulaC22H29N7O5
Molecular Weight471.52 g/mol
Exact Mass471.22
IUPAC Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)O)cnc2n1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H29N7O5/c1-6-29-16(10-13(2)27-29)18(30)26-20-25-15-11-14(19(31)32)12-24-17(15)28(20)9-7-8-23-21(33)34-22(3,4)5/h10-12H,6-9H2,1-5H3,(H,23,33)(H,31,32)(H,25,26,30)
InChIKeySSWKNXZVFJIXTL-UHFFFAOYSA-N
XLogP2.82
TPSA153.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-(2-fluoropyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775880
1-[7-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 25024122
1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 57378954
5-(2-(cyclopropyl(methyl)amino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774177
5-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775107
5-(2-(ethyl(methyl)amino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67776185
2-[(2-Phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid
CID 165415004
5-(2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67776711
1-Methyl-5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 89464309
7-Cyclopentyl-2-[[1-methyl-5-(4-methylpiperazine-1-carbonyl)pyrrol-3-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 70696269
1-Methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]benzimidazole-4-carboxylic acid
CID 164866578
1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 71537576

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid (CID 155567272) is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid is CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)O)cnc2n1CCCNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is SSWKNXZVFJIXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O5/c1-6-29-16(10-13(2)27-29)18(30)26-20-25-15-11-14(19(31)32)12-24-17(15)28(20)9-7-8-23-21(33)34-22(3,4)5/h10-12H,6-9H2,1-5H3,(H,23,33)(H,31,32)(H,25,26,30).
What are the key properties of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 471.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 155567272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).