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

C23H30N4O3 — CID 134810053

IUPAC2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(C)C)nn2Cc1cccnc1
InChIInChI=1S/C23H30N4O3/c1-16(2)12-25-22(28)23(3,4)30-21-19-11-17(15-29-5)8-9-20(19)27(26-21)14-18-7-6-10-24-13-18/h6-11,13,16H,12,14-15H2,1-5H3,(H,25,28)
InChIKeyGSDNDPKKKRHBGG-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.56
Rot. Bonds9

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

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 134810053) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID134810053
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(C)C)nn2Cc1cccnc1
InChIInChI=1S/C23H30N4O3/c1-16(2)12-25-22(28)23(3,4)30-21-19-11-17(15-29-5)8-9-20(19)27(26-21)14-18-7-6-10-24-13-18/h6-11,13,16H,12,14-15H2,1-5H3,(H,25,28)
InChIKeyGSDNDPKKKRHBGG-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
CID 134810132
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
CID 134809934
2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide
CID 134808494
2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
CID 134809445
2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 134809972
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134809753
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 100829078
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
CID 45249485
1-benzyl-N-(2-methylpropyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridazin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155853149

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide (CID 134810053) is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(C)C)nn2Cc1cccnc1.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is GSDNDPKKKRHBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(2)12-25-22(28)23(3,4)30-21-19-11-17(15-29-5)8-9-20(19)27(26-21)14-18-7-6-10-24-13-18/h6-11,13,16H,12,14-15H2,1-5H3,(H,25,28).
What are the key properties of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 410.52 g/mol, XLogP of 3.56, 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-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 134810053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).