3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid

C19H20ClN5O2 — CID 90216498

IUPAC3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
InChIKeyKHVBTGDZMFHBJJ-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.62
Rot. Bonds6

About 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid

3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 90216498) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID90216498
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
InChIKeyKHVBTGDZMFHBJJ-UHFFFAOYSA-N
XLogP3.62
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrrole-3-carboxylic acid
CID 137643436
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
US10040779, Example 17
CID 76282525
US10040779, Example 18
CID 76282526

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid (CID 90216498) is 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12.
What is the InChIKey of 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is KHVBTGDZMFHBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27).
What are the key properties of 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid?
3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 385.86 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 90216498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).