benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate

C17H18N4O4 — CID 171856101

IUPACbenzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc2cn[nH]c2cn1)OCc1ccccc1
InChIInChI=1S/C17H18N4O4/c22-15(9-19-17(24)25-10-11-4-2-1-3-5-11)16(23)13-6-12-7-20-21-14(12)8-18-13/h1-8,15-16,22-23H,9-10H2,(H,19,24)(H,20,21)
InChIKeyHJBFAMTZWHFKNZ-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.28
Rot. Bonds6

About benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate (PubChem CID 171856101) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate
PubChem CID171856101
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc2cn[nH]c2cn1)OCc1ccccc1
InChIInChI=1S/C17H18N4O4/c22-15(9-19-17(24)25-10-11-4-2-1-3-5-11)16(23)13-6-12-7-20-21-14(12)8-18-13/h1-8,15-16,22-23H,9-10H2,(H,19,24)(H,20,21)
InChIKeyHJBFAMTZWHFKNZ-UHFFFAOYSA-N
XLogP1.28
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
CID 171856136
benzyl N-[2,3-dihydroxy-3-[6-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855706
benzyl N-[3-(1-aminoisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856679
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855924
benzyl N-[3-(2-amino-5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171857015
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
benzyl N-[3-(1-chloroisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856690
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
benzyl N-[3-(2-chloro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855641

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate (CID 171856101) is benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate is O=C(NCC(O)C(O)c1cc2cn[nH]c2cn1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate?
The InChIKey is HJBFAMTZWHFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-15(9-19-17(24)25-10-11-4-2-1-3-5-11)16(23)13-6-12-7-20-21-14(12)8-18-13/h1-8,15-16,22-23H,9-10H2,(H,19,24)(H,20,21).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate has a molecular weight of 342.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate is sourced from PubChem (CID 171856101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).