6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide

C22H25N5O5 — CID 118173136

IUPAC6-(1-hydroxyethyl)-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)O)n1
InChIInChI=1S/C22H25N5O5/c1-14(28)16-4-3-5-17(23-16)22(30)24-19-10-15-12-27(25-18(15)11-20(19)31-2)13-21(29)26-6-8-32-9-7-26/h3-5,10-12,14,28H,6-9,13H2,1-2H3,(H,24,30)
InChIKeyRBTVHFPPQWRMEB-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.60
Rot. Bonds6

About 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide

6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173136) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173136
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name6-(1-hydroxyethyl)-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)O)n1
InChIInChI=1S/C22H25N5O5/c1-14(28)16-4-3-5-17(23-16)22(30)24-19-10-15-12-27(25-18(15)11-20(19)31-2)13-21(29)26-6-8-32-9-7-26/h3-5,10-12,14,28H,6-9,13H2,1-2H3,(H,24,30)
InChIKeyRBTVHFPPQWRMEB-UHFFFAOYSA-N
XLogP1.60
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide (CID 118173136) is 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-hydroxyethyl)-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)O)n1.
What is the InChIKey of 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is RBTVHFPPQWRMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-14(28)16-4-3-5-17(23-16)22(30)24-19-10-15-12-27(25-18(15)11-20(19)31-2)13-21(29)26-6-8-32-9-7-26/h3-5,10-12,14,28H,6-9,13H2,1-2H3,(H,24,30).
What are the key properties of 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).