1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea

C21H27N5O2 — CID 58135522

IUPAC1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea
SMILESCCN(CC)CCNC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12
InChIInChI=1S/C21H27N5O2/c1-4-26(5-2)13-12-22-21(27)23-20-17-11-10-15(14-18(17)24-25-20)16-8-6-7-9-19(16)28-3/h6-11,14H,4-5,12-13H2,1-3H3,(H3,22,23,24,25,27)
InChIKeyHVYCQAWXYTUXHA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.70
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea

1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea (PubChem CID 58135522) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea
PubChem CID58135522
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea
SMILESCCN(CC)CCNC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12
InChIInChI=1S/C21H27N5O2/c1-4-26(5-2)13-12-22-21(27)23-20-17-11-10-15(14-18(17)24-25-20)16-8-6-7-9-19(16)28-3/h6-11,14H,4-5,12-13H2,1-3H3,(H3,22,23,24,25,27)
InChIKeyHVYCQAWXYTUXHA-UHFFFAOYSA-N
XLogP3.70
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{[(4-phenoxy-1H-indazol-3-yl)amino]methyl}phenyl)acetamide
CID 11257276
N-[4-({[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino}methyl)phenyl]acetamide
CID 11269297
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride
CID 53320511
[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate
CID 90645436
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
1-cyclopropyl-3-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]urea
CID 137661314
4-N-hydroxy-1-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]benzene-1,4-dicarboxamide
CID 145977597
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pentanediamide
CID 162663710
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]heptanediamide
CID 162665208
N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide
CID 162667414
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]octanediamide
CID 162668465
N'-hydroxy-N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]octanediamide
CID 162668875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea (CID 58135522) is 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea is CCN(CC)CCNC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea?
The InChIKey is HVYCQAWXYTUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-26(5-2)13-12-22-21(27)23-20-17-11-10-15(14-18(17)24-25-20)16-8-6-7-9-19(16)28-3/h6-11,14H,4-5,12-13H2,1-3H3,(H3,22,23,24,25,27).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea?
1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea has a molecular weight of 381.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea is sourced from PubChem (CID 58135522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).