N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

C22H29N5O2 — CID 124682828

IUPACN-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)NC[C@@H](N)c3ccc(C(C)C)cc3)nn(C)c2n1
InChIInChI=1S/C22H29N5O2/c1-13(2)16-6-8-17(9-7-16)18(23)11-24-19(28)12-29-22-20-14(3)10-15(4)25-21(20)27(5)26-22/h6-10,13,18H,11-12,23H2,1-5H3,(H,24,28)/t18-/m1/s1
InChIKeyHNIUPPHLJUQYJP-GOSISDBHSA-N
MW395.51 g/mol
LogP2.90
Rot. Bonds7

About N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (PubChem CID 124682828) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
PubChem CID124682828
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)NC[C@@H](N)c3ccc(C(C)C)cc3)nn(C)c2n1
InChIInChI=1S/C22H29N5O2/c1-13(2)16-6-8-17(9-7-16)18(23)11-24-19(28)12-29-22-20-14(3)10-15(4)25-21(20)27(5)26-22/h6-10,13,18H,11-12,23H2,1-5H3,(H,24,28)/t18-/m1/s1
InChIKeyHNIUPPHLJUQYJP-GOSISDBHSA-N
XLogP2.90
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 51136014
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 119046852
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824
1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124694501
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 52522831
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119526851
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 56573478
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide
CID 119526031
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119525761
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 119525371
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The IUPAC name of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (CID 124682828) is N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The canonical SMILES for N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is Cc1cc(C)c2c(OCC(=O)NC[C@@H](N)c3ccc(C(C)C)cc3)nn(C)c2n1.
What is the InChIKey of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The InChIKey is HNIUPPHLJUQYJP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-13(2)16-6-8-17(9-7-16)18(23)11-24-19(28)12-29-22-20-14(3)10-15(4)25-21(20)27(5)26-22/h6-10,13,18H,11-12,23H2,1-5H3,(H,24,28)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide has a molecular weight of 395.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is sourced from PubChem (CID 124682828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).