2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide

C23H30N4O3 — CID 134808510

IUPAC2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)Nc1ccccn1)nn2CCC(C)C
InChIInChI=1S/C23H30N4O3/c1-16(2)11-13-27-19-10-9-17(15-29-5)14-18(19)21(26-27)30-23(3,4)22(28)25-20-8-6-7-12-24-20/h6-10,12,14,16H,11,13,15H2,1-5H3,(H,24,25,28)
InChIKeyGAMBNEBZJDDASI-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.42
Rot. Bonds9

About 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide (PubChem CID 134808510) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
PubChem CID134808510
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)Nc1ccccn1)nn2CCC(C)C
InChIInChI=1S/C23H30N4O3/c1-16(2)11-13-27-19-10-9-17(15-29-5)14-18(19)21(26-27)30-23(3,4)22(28)25-20-8-6-7-12-24-20/h6-10,12,14,16H,11,13,15H2,1-5H3,(H,24,25,28)
InChIKeyGAMBNEBZJDDASI-UHFFFAOYSA-N
XLogP4.42
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide (CID 134808510) is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)Nc1ccccn1)nn2CCC(C)C.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
The InChIKey is GAMBNEBZJDDASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(2)11-13-27-19-10-9-17(15-29-5)14-18(19)21(26-27)30-23(3,4)22(28)25-20-8-6-7-12-24-20/h6-10,12,14,16H,11,13,15H2,1-5H3,(H,24,25,28).
What are the key properties of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide?
2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 134808510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).