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

C21H23N5O4 — CID 122637024

IUPACN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C21H23N5O4/c1-14-4-3-5-16(22-14)21(28)23-18-10-15-12-26(24-17(15)11-19(18)29-2)13-20(27)25-6-8-30-9-7-25/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,28)
InChIKeyLLYRJVQDZYKVCX-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.86
Rot. Bonds5

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

N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 122637024) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID122637024
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C21H23N5O4/c1-14-4-3-5-16(22-14)21(28)23-18-10-15-12-26(24-17(15)11-19(18)29-2)13-20(27)25-6-8-30-9-7-25/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,28)
InChIKeyLLYRJVQDZYKVCX-UHFFFAOYSA-N
XLogP1.86
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 122637024) is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is LLYRJVQDZYKVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-14-4-3-5-16(22-14)21(28)23-18-10-15-12-26(24-17(15)11-19(18)29-2)13-20(27)25-6-8-30-9-7-25/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,28).
What are the key properties of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 122637024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).