N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide

C21H31N3O3 — CID 134806099

IUPACN-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CC1)nn2CCC(C)C
InChIInChI=1S/C21H31N3O3/c1-14(2)10-11-24-18-9-6-15(13-26-5)12-17(18)19(23-24)27-21(3,4)20(25)22-16-7-8-16/h6,9,12,14,16H,7-8,10-11,13H2,1-5H3,(H,22,25)
InChIKeyFPXXAOYBTACHGB-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.66
Rot. Bonds9

About N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide

N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide (PubChem CID 134806099) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide
PubChem CID134806099
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CC1)nn2CCC(C)C
InChIInChI=1S/C21H31N3O3/c1-14(2)10-11-24-18-9-6-15(13-26-5)12-17(18)19(23-24)27-21(3,4)20(25)22-16-7-8-16/h6,9,12,14,16H,7-8,10-11,13H2,1-5H3,(H,22,25)
InChIKeyFPXXAOYBTACHGB-UHFFFAOYSA-N
XLogP3.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134806428
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
CID 134809742
2-[5-(Methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134809864
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134809871
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134810046
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134805780
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134809900
2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide
CID 134809964
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 134810138
2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 134805067
2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134805068

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide (CID 134806099) is N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CC1)nn2CCC(C)C.
What is the InChIKey of N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
The InChIKey is FPXXAOYBTACHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14(2)10-11-24-18-9-6-15(13-26-5)12-17(18)19(23-24)27-21(3,4)20(25)22-16-7-8-16/h6,9,12,14,16H,7-8,10-11,13H2,1-5H3,(H,22,25).
What are the key properties of N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide has a molecular weight of 373.50 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide is sourced from PubChem (CID 134806099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).