6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid

C19H20N6O4 — CID 171437221

IUPAC6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid
SMILESCCn1ncc2ncc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c21
InChIInChI=1S/C19H20N6O4/c1-3-25-16-13(9-22-25)20-8-14(17(16)29-2)23-12-6-15(21-7-11(12)19(27)28)24-18(26)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,27,28)(H2,21,23,24,26)
InChIKeyXEPWCWBGZAGHMX-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.65
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid

6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid (PubChem CID 171437221) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid
PubChem CID171437221
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid
SMILESCCn1ncc2ncc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c21
InChIInChI=1S/C19H20N6O4/c1-3-25-16-13(9-22-25)20-8-14(17(16)29-2)23-12-6-15(21-7-11(12)19(27)28)24-18(26)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,27,28)(H2,21,23,24,26)
InChIKeyXEPWCWBGZAGHMX-UHFFFAOYSA-N
XLogP2.65
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid
CID 171437250
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-8-methoxyimidazo[1,5-a]pyridin-7-yl)amino]pyridine-3-carboxylic acid
CID 171437430
6-(cyclopropanecarbonylamino)-4-[(3-ethyl-4-methoxy-2-methylindazol-5-yl)amino]pyridine-3-carboxylic acid
CID 171437610
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
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437592
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437051

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid (CID 171437221) is 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid is CCn1ncc2ncc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c21.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is XEPWCWBGZAGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-3-25-16-13(9-22-25)20-8-14(17(16)29-2)23-12-6-15(21-7-11(12)19(27)28)24-18(26)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,27,28)(H2,21,23,24,26).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid?
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 396.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 171437221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).