1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea

C17H18N4O2 — CID 70689793

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]ncc2c1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H18N4O2/c22-11-15(8-12-4-2-1-3-5-12)20-17(23)19-14-6-7-16-13(9-14)10-18-21-16/h1-7,9-10,15,22H,8,11H2,(H,18,21)(H2,19,20,23)/t15-/m0/s1
InChIKeyHRUSHJHVNFDTLY-HNNXBMFYSA-N
MW310.36 g/mol
LogP2.29
Rot. Bonds5

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea (PubChem CID 70689793) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
PubChem CID70689793
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]ncc2c1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H18N4O2/c22-11-15(8-12-4-2-1-3-5-12)20-17(23)19-14-6-7-16-13(9-14)10-18-21-16/h1-7,9-10,15,22H,8,11H2,(H,18,21)(H2,19,20,23)/t15-/m0/s1
InChIKeyHRUSHJHVNFDTLY-HNNXBMFYSA-N
XLogP2.29
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 71906546
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea
CID 139001345
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99703684
1-(3-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 95980553
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea (CID 70689793) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea is O=C(Nc1ccc2[nH]ncc2c1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea?
The InChIKey is HRUSHJHVNFDTLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-11-15(8-12-4-2-1-3-5-12)20-17(23)19-14-6-7-16-13(9-14)10-18-21-16/h1-7,9-10,15,22H,8,11H2,(H,18,21)(H2,19,20,23)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea has a molecular weight of 310.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 70689793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).