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

C26H27N5O3 — CID 11259634

IUPAC1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCC(O)C2)c1
InChIInChI=1S/C26H27N5O3/c32-22-12-13-30(18-22)14-15-31-25-11-8-21(16-19(25)17-27-31)29-26(33)28-20-6-9-24(10-7-20)34-23-4-2-1-3-5-23/h1-11,16-17,22,32H,12-15,18H2,(H2,28,29,33)
InChIKeyUBPLEALSOWOIFE-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.54
Rot. Bonds7

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

1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea (PubChem CID 11259634) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
PubChem CID11259634
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCC(O)C2)c1
InChIInChI=1S/C26H27N5O3/c32-22-12-13-30(18-22)14-15-31-25-11-8-21(16-19(25)17-27-31)29-26(33)28-20-6-9-24(10-7-20)34-23-4-2-1-3-5-23/h1-11,16-17,22,32H,12-15,18H2,(H2,28,29,33)
InChIKeyUBPLEALSOWOIFE-UHFFFAOYSA-N
XLogP4.54
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-3-(4-phenoxyphenyl)urea
CID 59114406
1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
CID 11248433
2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
CID 11517811
1-[(4-phenoxyphenyl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]urea
CID 11396908
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
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
N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 119039409
1-[2-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]indazol-6-yl]-3-(4-phenoxyphenyl)urea
CID 11249049
1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 90879086
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719398
1-[2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
CID 11454231

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea (CID 11259634) is 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea is O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCC(O)C2)c1.
What is the InChIKey of 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
The InChIKey is UBPLEALSOWOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-22-12-13-30(18-22)14-15-31-25-11-8-21(16-19(25)17-27-31)29-26(33)28-20-6-9-24(10-7-20)34-23-4-2-1-3-5-23/h1-11,16-17,22,32H,12-15,18H2,(H2,28,29,33).
What are the key properties of 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea?
1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea has a molecular weight of 457.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 11259634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).