1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C17H19N5O3 — CID 123506062

IUPAC1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C(C)O)ncc12
InChIInChI=1S/C17H19N5O3/c1-10(23)15(11-6-4-3-5-7-11)20-17(24)19-14-8-13-12(9-18-14)16(25-2)22-21-13/h3-10,15,23H,1-2H3,(H,21,22)(H2,18,19,20,24)
InChIKeyIORJFYFPBNCLOI-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.21
Rot. Bonds5

About 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 123506062) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID123506062
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C(C)O)ncc12
InChIInChI=1S/C17H19N5O3/c1-10(23)15(11-6-4-3-5-7-11)20-17(24)19-14-8-13-12(9-18-14)16(25-2)22-21-13/h3-10,15,23H,1-2H3,(H,21,22)(H2,18,19,20,24)
InChIKeyIORJFYFPBNCLOI-UHFFFAOYSA-N
XLogP2.21
TPSA112.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365348
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365227
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365369
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea
CID 123565254
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365419
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381189
4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
CID 144599383
1-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R,2S)-2-hydroxy-3-methyl-1-phenylbutyl]urea
CID 118365064

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 123506062) is 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C(C)O)ncc12.
What is the InChIKey of 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is IORJFYFPBNCLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(23)15(11-6-4-3-5-7-11)20-17(24)19-14-8-13-12(9-18-14)16(25-2)22-21-13/h3-10,15,23H,1-2H3,(H,21,22)(H2,18,19,20,24).
What are the key properties of 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 341.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 123506062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).