6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide

C23H27N5O5 — CID 118172992

IUPAC6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C23H27N5O5/c1-23(2,31)20-6-4-5-16(24-20)22(30)25-18-11-15-13-28(26-17(15)12-19(18)32-3)14-21(29)27-7-9-33-10-8-27/h4-6,11-13,31H,7-10,14H2,1-3H3,(H,25,30)
InChIKeyILMYAITZJAJSEG-UHFFFAOYSA-N
MW453.50 g/mol
LogP1.78
Rot. Bonds6

About 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide

6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118172992) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID118172992
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C23H27N5O5/c1-23(2,31)20-6-4-5-16(24-20)22(30)25-18-11-15-13-28(26-17(15)12-19(18)32-3)14-21(29)27-7-9-33-10-8-27/h4-6,11-13,31H,7-10,14H2,1-3H3,(H,25,30)
InChIKeyILMYAITZJAJSEG-UHFFFAOYSA-N
XLogP1.78
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide (CID 118172992) is 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is ILMYAITZJAJSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-23(2,31)20-6-4-5-16(24-20)22(30)25-18-11-15-13-28(26-17(15)12-19(18)32-3)14-21(29)27-7-9-33-10-8-27/h4-6,11-13,31H,7-10,14H2,1-3H3,(H,25,30).
What are the key properties of 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118172992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).