2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide

C25H29N5O3 — CID 134808810

IUPAC2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCc1cnc[nH]1)nn2Cc1ccccc1
InChIInChI=1S/C25H29N5O3/c1-25(2,24(31)27-12-11-20-14-26-17-28-20)33-23-21-13-19(16-32-3)9-10-22(21)30(29-23)15-18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15-16H2,1-3H3,(H,26,28)(H,27,31)
InChIKeyJEOUTAJYYQGZEW-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.47
Rot. Bonds10

About 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide

2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide (PubChem CID 134808810) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
PubChem CID134808810
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCc1cnc[nH]1)nn2Cc1ccccc1
InChIInChI=1S/C25H29N5O3/c1-25(2,24(31)27-12-11-20-14-26-17-28-20)33-23-21-13-19(16-32-3)9-10-22(21)30(29-23)15-18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15-16H2,1-3H3,(H,26,28)(H,27,31)
InChIKeyJEOUTAJYYQGZEW-UHFFFAOYSA-N
XLogP3.47
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134808502
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide
CID 67209542
15-Oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one
CID 153295744
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-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134810271
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134809900
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 134810138
N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide
CID 134805444
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
CID 134807844
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 134807859
2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
CID 134808510
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
CID 134809168

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide (CID 134808810) is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCc1cnc[nH]1)nn2Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
The InChIKey is JEOUTAJYYQGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-25(2,24(31)27-12-11-20-14-26-17-28-20)33-23-21-13-19(16-32-3)9-10-22(21)30(29-23)15-18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15-16H2,1-3H3,(H,26,28)(H,27,31).
What are the key properties of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide has a molecular weight of 447.54 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 134808810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).