1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea

C19H19N5O — CID 16749465

IUPAC1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea
SMILESCn1ccc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21
InChIInChI=1S/C19H19N5O/c1-23-9-8-14-10-13(6-7-17(14)23)11-20-19(25)22-16-4-3-5-18-15(16)12-21-24(18)2/h3-10,12H,11H2,1-2H3,(H2,20,22,25)
InChIKeyDJXLLQTVRLSWNR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.39
Rot. Bonds3

About 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea

1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea (PubChem CID 16749465) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea
PubChem CID16749465
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea
SMILESCn1ccc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21
InChIInChI=1S/C19H19N5O/c1-23-9-8-14-10-13(6-7-17(14)23)11-20-19(25)22-16-4-3-5-18-15(16)12-21-24(18)2/h3-10,12H,11H2,1-2H3,(H2,20,22,25)
InChIKeyDJXLLQTVRLSWNR-UHFFFAOYSA-N
XLogP3.39
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea?
The IUPAC name of 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea (CID 16749465) is 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea.
What is the SMILES notation for 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea?
The canonical SMILES for 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea is Cn1ccc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21.
What is the InChIKey of 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea?
The InChIKey is DJXLLQTVRLSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-9-8-14-10-13(6-7-17(14)23)11-20-19(25)22-16-4-3-5-18-15(16)12-21-24(18)2/h3-10,12H,11H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea?
1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea has a molecular weight of 333.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea is sourced from PubChem (CID 16749465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).