1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea

C27H29N5O3 — CID 11248433

IUPAC1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2nn(CCN3CCC(O)CC3)cc2c1
InChIInChI=1S/C27H29N5O3/c33-23-12-14-31(15-13-23)16-17-32-19-20-18-22(8-11-26(20)30-32)29-27(34)28-21-6-9-25(10-7-21)35-24-4-2-1-3-5-24/h1-11,18-19,23,33H,12-17H2,(H2,28,29,34)
InChIKeyZAINYEFSIZIAQI-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.93
Rot. Bonds7

About 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea

1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea (PubChem CID 11248433) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
PubChem CID11248433
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2nn(CCN3CCC(O)CC3)cc2c1
InChIInChI=1S/C27H29N5O3/c33-23-12-14-31(15-13-23)16-17-32-19-20-18-22(8-11-26(20)30-32)29-27(34)28-21-6-9-25(10-7-21)35-24-4-2-1-3-5-24/h1-11,18-19,23,33H,12-17H2,(H2,28,29,34)
InChIKeyZAINYEFSIZIAQI-UHFFFAOYSA-N
XLogP4.93
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
CID 11454231
1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-3-(4-phenoxyphenyl)urea
CID 59114406
1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
CID 11259634
1-[2-[3-(2-methylpyrrolidin-1-yl)propyl]indazol-6-yl]-3-(4-phenoxyphenyl)urea
CID 11178867
1-[2-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]indazol-6-yl]-3-(4-phenoxyphenyl)urea
CID 11249049
1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea
CID 59114396
1-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-3-(4-phenoxyphenyl)urea
CID 12972944
N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 119039409
1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-(2-phenyl-4-pyridinyl)urea
CID 138054189
1-[3-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 6693472
1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 91807695
1-[(4-phenoxyphenyl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]urea
CID 11396908

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea (CID 11248433) is 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea is O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2nn(CCN3CCC(O)CC3)cc2c1.
What is the InChIKey of 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
The InChIKey is ZAINYEFSIZIAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c33-23-12-14-31(15-13-23)16-17-32-19-20-18-22(8-11-26(20)30-32)29-27(34)28-21-6-9-25(10-7-21)35-24-4-2-1-3-5-24/h1-11,18-19,23,33H,12-17H2,(H2,28,29,34).
What are the key properties of 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea has a molecular weight of 471.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 11248433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).