ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid

C20H23FN4O3 — CID 144653790

IUPACethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCC.O=C(O)c1ccncc1Nc1nn(CC2CCCO2)c2ccc(F)cc12
InChIInChI=1S/C18H17FN4O3.C2H6/c19-11-3-4-16-14(8-11)17(22-23(16)10-12-2-1-7-26-12)21-15-9-20-6-5-13(15)18(24)25;1-2/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,24,25);1-2H3
InChIKeyQDVUUMLNBCGAAX-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.22
Rot. Bonds5

About ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid

ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 144653790) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID144653790
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nameethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCC.O=C(O)c1ccncc1Nc1nn(CC2CCCO2)c2ccc(F)cc12
InChIInChI=1S/C18H17FN4O3.C2H6/c19-11-3-4-16-14(8-11)17(22-23(16)10-12-2-1-7-26-12)21-15-9-20-6-5-13(15)18(24)25;1-2/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,24,25);1-2H3
InChIKeyQDVUUMLNBCGAAX-UHFFFAOYSA-N
XLogP4.22
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid with MolForge

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Related Compounds

3-[(1-Cyclopentyl-5-fluoroindazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282772
3-({1-[2-(4,4-Difluoropiperidin-1-Yl)ethyl]-5-Fluoro-1h-Indazol-3-Yl}amino)pyridine-4-Carboxylic Acid
CID 90216621
US10040779, Example 4
CID 75202257
US10040779, Example 1
CID 76282043
4-(1-benzyl-1H-indazol-5-ylamino)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 16730263
4-[[1-(Phenylmethyl)-1h-indazol-5-yl]amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 23589545
Ethyl 4-[(1-benzylindazol-5-yl)amino]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 23646542
3-[(5-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282049
3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282291
3-[(5-trifluoromethyl-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282292
US10040779, Example 15
CID 76282293
US10040779, Example 16
CID 76282524

Frequently Asked Questions

What is the IUPAC name of ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid (CID 144653790) is ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid is CC.O=C(O)c1ccncc1Nc1nn(CC2CCCO2)c2ccc(F)cc12.
What is the InChIKey of ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is QDVUUMLNBCGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3.C2H6/c19-11-3-4-16-14(8-11)17(22-23(16)10-12-2-1-7-26-12)21-15-9-20-6-5-13(15)18(24)25;1-2/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,24,25);1-2H3.
What are the key properties of ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 144653790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).