6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid

C16H14ClN5O3 — CID 121272415

IUPAC6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid
SMILESO=C(O)n1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C16H14ClN5O3/c17-14-8-12(19-15(20-14)21-3-5-25-6-4-21)10-1-2-11-9-18-22(16(23)24)13(11)7-10/h1-2,7-9H,3-6H2,(H,23,24)
InChIKeyQSVABLLJEPFGNL-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.51
Rot. Bonds2

About 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid

6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid (PubChem CID 121272415) has the molecular formula C16H14ClN5O3 and a molecular weight of 359.77 g/mol. Its IUPAC name is 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid.

Molecular Properties

Compound Name6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid
PubChem CID121272415
Molecular FormulaC16H14ClN5O3
Molecular Weight359.77 g/mol
Exact Mass359.08
IUPAC Name6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid
SMILESO=C(O)n1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C16H14ClN5O3/c17-14-8-12(19-15(20-14)21-3-5-25-6-4-21)10-1-2-11-9-18-22(16(23)24)13(11)7-10/h1-2,7-9H,3-6H2,(H,23,24)
InChIKeyQSVABLLJEPFGNL-UHFFFAOYSA-N
XLogP2.51
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-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

4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine
CID 121275852
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797
1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910
3-methyl-1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 160707838
4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
CID 87606474
tert-butyl 2-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate
CID 121272392
methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
CID 145100338
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
CID 145053350
3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632
(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 87606299

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid?
The IUPAC name of 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid (CID 121272415) is 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid.
What is the SMILES notation for 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid?
The canonical SMILES for 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid is O=C(O)n1ncc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid?
The InChIKey is QSVABLLJEPFGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3/c17-14-8-12(19-15(20-14)21-3-5-25-6-4-21)10-1-2-11-9-18-22(16(23)24)13(11)7-10/h1-2,7-9H,3-6H2,(H,23,24).
What are the key properties of 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid?
6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid has a molecular weight of 359.77 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)indazole-1-carboxylic acid is sourced from PubChem (CID 121272415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).