1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

C17H24N6O2 — CID 94169729

IUPAC1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESO=C(NC[C@@H](O)CN1CCCCC1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H24N6O2/c24-14(13-22-9-2-1-3-10-22)12-19-17(25)21-15-6-4-7-18-16(15)23-11-5-8-20-23/h4-8,11,14,24H,1-3,9-10,12-13H2,(H2,19,21,25)/t14-/m1/s1
InChIKeyNJUMSHALVWFBNH-CQSZACIVSA-N
MW344.42 g/mol
LogP1.24
Rot. Bonds6

About 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 94169729) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID94169729
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESO=C(NC[C@@H](O)CN1CCCCC1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H24N6O2/c24-14(13-22-9-2-1-3-10-22)12-19-17(25)21-15-6-4-7-18-16(15)23-11-5-8-20-23/h4-8,11,14,24H,1-3,9-10,12-13H2,(H2,19,21,25)/t14-/m1/s1
InChIKeyNJUMSHALVWFBNH-CQSZACIVSA-N
XLogP1.24
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
CID 126423883
1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 47041210
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
CID 125167669
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 78879904
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (CID 94169729) is 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is O=C(NC[C@@H](O)CN1CCCCC1)Nc1cccnc1-n1cccn1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is NJUMSHALVWFBNH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2/c24-14(13-22-9-2-1-3-10-22)12-19-17(25)21-15-6-4-7-18-16(15)23-11-5-8-20-23/h4-8,11,14,24H,1-3,9-10,12-13H2,(H2,19,21,25)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 344.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94169729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).