N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

C22H29N5O2 — CID 51136014

IUPACN-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)NCC(Nc3ccccc3)C(C)C)nn(C)c2n1
InChIInChI=1S/C22H29N5O2/c1-14(2)18(25-17-9-7-6-8-10-17)12-23-19(28)13-29-22-20-15(3)11-16(4)24-21(20)27(5)26-22/h6-11,14,18,25H,12-13H2,1-5H3,(H,23,28)
InChIKeyISWTWXSNWPDPKU-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.22
Rot. Bonds8

About N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (PubChem CID 51136014) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
PubChem CID51136014
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)NCC(Nc3ccccc3)C(C)C)nn(C)c2n1
InChIInChI=1S/C22H29N5O2/c1-14(2)18(25-17-9-7-6-8-10-17)12-23-19(28)13-29-22-20-15(3)11-16(4)24-21(20)27(5)26-22/h6-11,14,18,25H,12-13H2,1-5H3,(H,23,28)
InChIKeyISWTWXSNWPDPKU-UHFFFAOYSA-N
XLogP3.22
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 124682828
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 119046852
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95303336
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 86885142
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 52522831
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 56573478
1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124694501
N-(2-anilino-3-methylbutyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 55536000
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 86965207
1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124697467
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 25354917

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (CID 51136014) is N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is Cc1cc(C)c2c(OCC(=O)NCC(Nc3ccccc3)C(C)C)nn(C)c2n1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The InChIKey is ISWTWXSNWPDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14(2)18(25-17-9-7-6-8-10-17)12-23-19(28)13-29-22-20-15(3)11-16(4)24-21(20)27(5)26-22/h6-11,14,18,25H,12-13H2,1-5H3,(H,23,28).
What are the key properties of N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide has a molecular weight of 395.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is sourced from PubChem (CID 51136014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).