2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide

C21H26N4O3 — CID 157385041

IUPAC2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide
SMILESCCn1ncc2cc(CC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(OC)c21
InChIInChI=1S/C21H26N4O3/c1-5-25-18-15(13-22-25)11-16(23-20(18)28-4)12-17(26)24-19(21(2,3)27)14-9-7-6-8-10-14/h6-11,13,19,27H,5,12H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyBLIHMFIFAOWTKE-IBGZPJMESA-N
MW382.46 g/mol
LogP2.63
Rot. Bonds7

About 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide

2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide (PubChem CID 157385041) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide
PubChem CID157385041
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide
SMILESCCn1ncc2cc(CC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(OC)c21
InChIInChI=1S/C21H26N4O3/c1-5-25-18-15(13-22-25)11-16(23-20(18)28-4)12-17(26)24-19(21(2,3)27)14-9-7-6-8-10-14/h6-11,13,19,27H,5,12H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyBLIHMFIFAOWTKE-IBGZPJMESA-N
XLogP2.63
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(1S)-2-[[3-(5-chloro-1-ethylpyrazolo[3,4-c]pyridin-7-yl)oxiran-2-yl]methoxy]-1-phenylethyl]carbamate
CID 140875612
N-(1-ethylindazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 47083910
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
[5-[(5-chloro-1-ethylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-phenylpentyl]urea
CID 121416339
[2-[3-(5-chloro-1-ethylpyrazolo[3,4-c]pyridin-7-yl)propoxy]-1-phenylethyl]carbamic acid
CID 121416332
methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
CID 97260617
1-[3-ethoxy-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]urea
CID 118365277
methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
(4S)-1-[1-(cyclopropylmethyl)-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-4-phenylpentan-2-one
CID 153269818
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
3-[7-(hydroxymethyl)-5-[(4S)-2-oxo-4-phenylpentyl]pyrazolo[3,4-c]pyridin-1-yl]propanenitrile
CID 161329376
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 91960360

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide?
The IUPAC name of 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide (CID 157385041) is 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide is CCn1ncc2cc(CC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(OC)c21.
What is the InChIKey of 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide?
The InChIKey is BLIHMFIFAOWTKE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O3/c1-5-25-18-15(13-22-25)11-16(23-20(18)28-4)12-17(26)24-19(21(2,3)27)14-9-7-6-8-10-14/h6-11,13,19,27H,5,12H2,1-4H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide?
2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)-N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]acetamide is sourced from PubChem (CID 157385041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).