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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Related Compounds

Ko-947
CID 136653617
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
N-[1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11467108
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(propan-2-yl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16747867
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(3,3-dimethylbutyl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16747868
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748250

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).