6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid

C21H23N5O4 — CID 171437610

IUPAC6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid
SMILESCCc1c2c(OC)c(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)ccc2nn1C
InChIInChI=1S/C21H23N5O4/c1-4-16-18-13(25-26(16)2)7-8-14(19(18)30-3)23-15-9-17(22-10-12(15)21(28)29)24-20(27)11-5-6-11/h7-11H,4-6H2,1-3H3,(H,28,29)(H2,22,23,24,27)
InChIKeyXYISUQDFYKHJAN-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.33
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid

6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid (PubChem CID 171437610) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid
PubChem CID171437610
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid
SMILESCCc1c2c(OC)c(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)ccc2nn1C
InChIInChI=1S/C21H23N5O4/c1-4-16-18-13(25-26(16)2)7-8-14(19(18)30-3)23-15-9-17(22-10-12(15)21(28)29)24-20(27)11-5-6-11/h7-11H,4-6H2,1-3H3,(H,28,29)(H2,22,23,24,27)
InChIKeyXYISUQDFYKHJAN-UHFFFAOYSA-N
XLogP3.33
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid
CID 171437430
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
N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
6-(cyclopropanecarbonylamino)-4-(4-diethylphosphanyl-2-methoxyanilino)pyridine-3-carboxamide
CID 170719834
6-(cyclopropanecarbonylamino)-4-[3-(5-dicyclopropylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridine-3-carboxamide
CID 170719755
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
N-[5-(2-amino-1,1-difluoroethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166858310

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid (CID 171437610) is 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid is CCc1c2c(OC)c(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)ccc2nn1C.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is XYISUQDFYKHJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-4-16-18-13(25-26(16)2)7-8-14(19(18)30-3)23-15-9-17(22-10-12(15)21(28)29)24-20(27)11-5-6-11/h7-11H,4-6H2,1-3H3,(H,28,29)(H2,22,23,24,27).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid?
6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 409.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 171437610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).