1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea

C22H19N5O — CID 16749565

IUPAC1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea
SMILESCn1c2ccccc2c2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21
InChIInChI=1S/C22H19N5O/c1-27-20-8-3-2-5-15(20)16-11-14(9-10-21(16)27)12-23-22(28)25-18-6-4-7-19-17(18)13-24-26-19/h2-11,13H,12H2,1H3,(H,24,26)(H2,23,25,28)
InChIKeyQJPAPVJGMCYWAF-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.53
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea

1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea (PubChem CID 16749565) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea
PubChem CID16749565
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea
SMILESCn1c2ccccc2c2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21
InChIInChI=1S/C22H19N5O/c1-27-20-8-3-2-5-15(20)16-11-14(9-10-21(16)27)12-23-22(28)25-18-6-4-7-19-17(18)13-24-26-19/h2-11,13H,12H2,1H3,(H,24,26)(H2,23,25,28)
InChIKeyQJPAPVJGMCYWAF-UHFFFAOYSA-N
XLogP4.53
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea (CID 16749565) is 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea is Cn1c2ccccc2c2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea?
The InChIKey is QJPAPVJGMCYWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-27-20-8-3-2-5-15(20)16-11-14(9-10-21(16)27)12-23-22(28)25-18-6-4-7-19-17(18)13-24-26-19/h2-11,13H,12H2,1H3,(H,24,26)(H2,23,25,28).
What are the key properties of 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea?
1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea has a molecular weight of 369.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[(9-methylcarbazol-3-yl)methyl]urea is sourced from PubChem (CID 16749565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).