1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C20H27N5O2 — CID 126793528

IUPAC1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C20H27N5O2/c26-20(23-18-5-6-19-16(13-18)14-21-24-19)22-17-3-1-15(2-4-17)7-8-25-9-11-27-12-10-25/h1-4,14,18H,5-13H2,(H,21,24)(H2,22,23,26)
InChIKeyWGVSLKZMCOGAHF-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.96
Rot. Bonds5

About 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 126793528) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID126793528
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C20H27N5O2/c26-20(23-18-5-6-19-16(13-18)14-21-24-19)22-17-3-1-15(2-4-17)7-8-25-9-11-27-12-10-25/h1-4,14,18H,5-13H2,(H,21,24)(H2,22,23,26)
InChIKeyWGVSLKZMCOGAHF-UHFFFAOYSA-N
XLogP1.96
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea with MolForge

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Related Compounds

1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110633807
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 71909222
2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951
(2R)-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-2-carboxamide
CID 119860916
1-cyclopropyl-3-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]urea
CID 113025672
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
CID 154747609
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120633725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 126793528) is 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is O=C(Nc1ccc(CCN2CCOCC2)cc1)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is WGVSLKZMCOGAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(23-18-5-6-19-16(13-18)14-21-24-19)22-17-3-1-15(2-4-17)7-8-25-9-11-27-12-10-25/h1-4,14,18H,5-13H2,(H,21,24)(H2,22,23,26).
What are the key properties of 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 369.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 126793528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).