6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid

C20H21N5O4 — CID 171437430

IUPAC6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid
SMILESCCc1ncn2ccc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c12
InChIInChI=1S/C20H21N5O4/c1-3-13-17-18(29-2)14(6-7-25(17)10-22-13)23-15-8-16(21-9-12(15)20(27)28)24-19(26)11-4-5-11/h6-11H,3-5H2,1-2H3,(H,27,28)(H2,21,23,24,26)
InChIKeyLXZKFSSQZZBOOJ-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.09
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid

6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid (PubChem CID 171437430) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid
PubChem CID171437430
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid
SMILESCCc1ncn2ccc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c12
InChIInChI=1S/C20H21N5O4/c1-3-13-17-18(29-2)14(6-7-25(17)10-22-13)23-15-8-16(21-9-12(15)20(27)28)24-19(26)11-4-5-11/h6-11H,3-5H2,1-2H3,(H,27,28)(H2,21,23,24,26)
InChIKeyLXZKFSSQZZBOOJ-UHFFFAOYSA-N
XLogP3.09
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid
CID 171437610
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid
CID 171437221
6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid
CID 171437250
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437592
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-prop-2-ynyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157020994
6-(cyclopropanecarbonylamino)-4-(4-diethylphosphanyl-2-methoxyanilino)pyridine-3-carboxamide
CID 170719834
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid (CID 171437430) is 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid is CCc1ncn2ccc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c12.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is LXZKFSSQZZBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-3-13-17-18(29-2)14(6-7-25(17)10-22-13)23-15-8-16(21-9-12(15)20(27)28)24-19(26)11-4-5-11/h6-11H,3-5H2,1-2H3,(H,27,28)(H2,21,23,24,26).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid?
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 395.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 171437430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).