1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

C22H21N5O2 — CID 166188155

IUPAC1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESCc1[nH]c2ccc(CNC(=O)Nc3ccc(Oc4cccnc4)nc3)cc2c1C
InChIInChI=1S/C22H21N5O2/c1-14-15(2)26-20-7-5-16(10-19(14)20)11-25-22(28)27-17-6-8-21(24-12-17)29-18-4-3-9-23-13-18/h3-10,12-13,26H,11H2,1-2H3,(H2,25,27,28)
InChIKeyQLNXDGSQPLGVTE-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.69
Rot. Bonds5

About 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (PubChem CID 166188155) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
PubChem CID166188155
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESCc1[nH]c2ccc(CNC(=O)Nc3ccc(Oc4cccnc4)nc3)cc2c1C
InChIInChI=1S/C22H21N5O2/c1-14-15(2)26-20-7-5-16(10-19(14)20)11-25-22(28)27-17-6-8-21(24-12-17)29-18-4-3-9-23-13-18/h3-10,12-13,26H,11H2,1-2H3,(H2,25,27,28)
InChIKeyQLNXDGSQPLGVTE-UHFFFAOYSA-N
XLogP4.69
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3-bromophenoxy)-3-pyridinyl]-3-(pyridin-3-ylmethyl)urea
CID 52836877
1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 166256153
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060903
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47080000
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
1-(1,3-dioxoisoindol-5-yl)-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]urea
CID 48814202
1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 167894017
N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
CID 141468421
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 75392520

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (CID 166188155) is 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is Cc1[nH]c2ccc(CNC(=O)Nc3ccc(Oc4cccnc4)nc3)cc2c1C.
What is the InChIKey of 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The InChIKey is QLNXDGSQPLGVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-15(2)26-20-7-5-16(10-19(14)20)11-25-22(28)27-17-6-8-21(24-12-17)29-18-4-3-9-23-13-18/h3-10,12-13,26H,11H2,1-2H3,(H2,25,27,28).
What are the key properties of 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea has a molecular weight of 387.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 166188155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).