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

C22H28N4O3 — CID 134810132

IUPAC2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccnc1
InChIInChI=1S/C22H28N4O3/c1-15(2)24-21(27)22(3,4)29-20-18-11-16(14-28-5)8-9-19(18)26(25-20)13-17-7-6-10-23-12-17/h6-12,15H,13-14H2,1-5H3,(H,24,27)
InChIKeyVUDKRAAGVUBGRB-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.31
Rot. Bonds8

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

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide (PubChem CID 134810132) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
PubChem CID134810132
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccnc1
InChIInChI=1S/C22H28N4O3/c1-15(2)24-21(27)22(3,4)29-20-18-11-16(14-28-5)8-9-19(18)26(25-20)13-17-7-6-10-23-12-17/h6-12,15H,13-14H2,1-5H3,(H,24,27)
InChIKeyVUDKRAAGVUBGRB-UHFFFAOYSA-N
XLogP3.31
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.31
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-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide (CID 134810132) is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccnc1.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is VUDKRAAGVUBGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15(2)24-21(27)22(3,4)29-20-18-11-16(14-28-5)8-9-19(18)26(25-20)13-17-7-6-10-23-12-17/h6-12,15H,13-14H2,1-5H3,(H,24,27).
What are the key properties of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 396.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 134810132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).