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

C22H24N6O5 — CID 118172732

IUPAC6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(NC(C)=O)n1
InChIInChI=1S/C22H24N6O5/c1-14(29)23-20-5-3-4-16(24-20)22(31)25-18-10-15-12-28(26-17(15)11-19(18)32-2)13-21(30)27-6-8-33-9-7-27/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,31)(H,23,24,29)
InChIKeyYURYYMYTVMPNGY-UHFFFAOYSA-N
MW452.47 g/mol
LogP1.51
Rot. Bonds6

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

6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118172732) has the molecular formula C22H24N6O5 and a molecular weight of 452.47 g/mol. Its IUPAC name is 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID118172732
Molecular FormulaC22H24N6O5
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC Name6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(NC(C)=O)n1
InChIInChI=1S/C22H24N6O5/c1-14(29)23-20-5-3-4-16(24-20)22(31)25-18-10-15-12-28(26-17(15)11-19(18)32-2)13-21(30)27-6-8-33-9-7-27/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,31)(H,23,24,29)
InChIKeyYURYYMYTVMPNGY-UHFFFAOYSA-N
XLogP1.51
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide (CID 118172732) is 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(NC(C)=O)n1.
What is the InChIKey of 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is YURYYMYTVMPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5/c1-14(29)23-20-5-3-4-16(24-20)22(31)25-18-10-15-12-28(26-17(15)11-19(18)32-2)13-21(30)27-6-8-33-9-7-27/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,31)(H,23,24,29).
What are the key properties of 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide?
6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118172732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).