6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid

C20H20FN5O4 — CID 171437250

IUPAC6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid
SMILES[2H]C([2H])([2H])C([2H])([2H])n1ncc2c(F)cc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c21
InChIInChI=1S/C20H20FN5O4/c1-3-26-17-11(9-23-26)13(21)6-15(18(17)30-2)24-14-7-16(22-8-12(14)20(28)29)25-19(27)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,28,29)(H2,22,24,25,27)/i1D3,3D2
InChIKeyOFOHLMSGVPKSJM-WNWXXORZSA-N
MW418.44 g/mol
LogP3.39
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid

6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid (PubChem CID 171437250) has the molecular formula C20H20FN5O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid
PubChem CID171437250
Molecular FormulaC20H20FN5O4
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid
SMILES[2H]C([2H])([2H])C([2H])([2H])n1ncc2c(F)cc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c21
InChIInChI=1S/C20H20FN5O4/c1-3-26-17-11(9-23-26)13(21)6-15(18(17)30-2)24-14-7-16(22-8-12(14)20(28)29)25-19(27)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,28,29)(H2,22,24,25,27)/i1D3,3D2
InChIKeyOFOHLMSGVPKSJM-WNWXXORZSA-N
XLogP3.39
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid
CID 171437221
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
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
4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437592
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437300
6-(cyclopropanecarbonylamino)-4-(4-diethylphosphanyl-2-methoxyanilino)pyridine-3-carboxamide
CID 170719834
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170966064
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-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid (CID 171437250) is 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid is [2H]C([2H])([2H])C([2H])([2H])n1ncc2c(F)cc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)O)c(OC)c21.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is OFOHLMSGVPKSJM-WNWXXORZSA-N. The full InChI is InChI=1S/C20H20FN5O4/c1-3-26-17-11(9-23-26)13(21)6-15(18(17)30-2)24-14-7-16(22-8-12(14)20(28)29)25-19(27)10-4-5-10/h6-10H,3-5H2,1-2H3,(H,28,29)(H2,22,24,25,27)/i1D3,3D2.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid?
6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 418.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[[4-fluoro-7-methoxy-1-(1,1,2,2,2-pentadeuterioethyl)indazol-6-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 171437250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).