1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea

C14H19N5O2 — CID 118788784

IUPAC1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(NCC1(O)CCCNC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O2/c20-13(16-9-14(21)4-1-5-15-8-14)18-11-2-3-12-10(6-11)7-17-19-12/h2-3,6-7,15,21H,1,4-5,8-9H2,(H,17,19)(H2,16,18,20)
InChIKeyOSWKQEFFPOFKGZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.80
Rot. Bonds3

About 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea

1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea (PubChem CID 118788784) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
PubChem CID118788784
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(NCC1(O)CCCNC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O2/c20-13(16-9-14(21)4-1-5-15-8-14)18-11-2-3-12-10(6-11)7-17-19-12/h2-3,6-7,15,21H,1,4-5,8-9H2,(H,17,19)(H2,16,18,20)
InChIKeyOSWKQEFFPOFKGZ-UHFFFAOYSA-N
XLogP0.80
TPSA102.07 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea;hydrochloride
CID 154903001
(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 95018921
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 74248365
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118771640
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364
1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72869943

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea (CID 118788784) is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea is O=C(NCC1(O)CCCNC1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea?
The InChIKey is OSWKQEFFPOFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-13(16-9-14(21)4-1-5-15-8-14)18-11-2-3-12-10(6-11)7-17-19-12/h2-3,6-7,15,21H,1,4-5,8-9H2,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea?
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea has a molecular weight of 289.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 118788784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).