N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide

C17H18N4O2 — CID 147317003

IUPACN-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide
SMILESC[C@@H](O)[C@@H](NC(=O)Cc1cc2cn[nH]c2cn1)c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-11(22)17(12-5-3-2-4-6-12)20-16(23)8-14-7-13-9-19-21-15(13)10-18-14/h2-7,9-11,17,22H,8H2,1H3,(H,19,21)(H,20,23)/t11-,17-/m1/s1
InChIKeyCZBGVDVSNZMVSR-PIGZYNQJSA-N
MW310.36 g/mol
LogP1.74
Rot. Bonds5

About N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide

N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide (PubChem CID 147317003) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide
PubChem CID147317003
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide
SMILESC[C@@H](O)[C@@H](NC(=O)Cc1cc2cn[nH]c2cn1)c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-11(22)17(12-5-3-2-4-6-12)20-16(23)8-14-7-13-9-19-21-15(13)10-18-14/h2-7,9-11,17,22H,8H2,1H3,(H,19,21)(H,20,23)/t11-,17-/m1/s1
InChIKeyCZBGVDVSNZMVSR-PIGZYNQJSA-N
XLogP1.74
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78813908
N-[(1S)-2-hydroxy-1-phenylpropyl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 158823369
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97228090
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
N-(2-hydroxy-2-phenylethyl)-1H-indazole-6-carboxamide
CID 43394671
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
1H-indazol-5-yl (2S)-3-methylsulfanyl-2-phenylpropanoate
CID 95971625

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide (CID 147317003) is N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide is C[C@@H](O)[C@@H](NC(=O)Cc1cc2cn[nH]c2cn1)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide?
The InChIKey is CZBGVDVSNZMVSR-PIGZYNQJSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(22)17(12-5-3-2-4-6-12)20-16(23)8-14-7-13-9-19-21-15(13)10-18-14/h2-7,9-11,17,22H,8H2,1H3,(H,19,21)(H,20,23)/t11-,17-/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide?
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-2-(1H-pyrazolo[3,4-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 147317003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).