1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea

C18H27N5O2 — CID 97434018

IUPAC1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C18H27N5O2/c1-21(2)8-9-23(13-16-5-4-10-25-16)18(24)20-15-7-6-14-12-19-22(3)17(14)11-15/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyHIPJCXWVTXEWRL-MRXNPFEDSA-N
MW345.45 g/mol
LogP2.15
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea

1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 97434018) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID97434018
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C18H27N5O2/c1-21(2)8-9-23(13-16-5-4-10-25-16)18(24)20-15-7-6-14-12-19-22(3)17(14)11-15/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyHIPJCXWVTXEWRL-MRXNPFEDSA-N
XLogP2.15
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97451974
3-(2-tert-butylpyrimidin-5-yl)-1-[2-(dimethylamino)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95353157
1-[2-(dimethylamino)ethyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97445258
1-(cyclobutylmethyl)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(oxolan-2-ylmethyl)urea
CID 72937240
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide
CID 131895770
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 52520502
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 95258509
1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(oxolan-2-ylmethyl)urea
CID 3305018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 97434018) is 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea is CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2cnn(C)c2c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is HIPJCXWVTXEWRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-21(2)8-9-23(13-16-5-4-10-25-16)18(24)20-15-7-6-14-12-19-22(3)17(14)11-15/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea?
1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 345.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(1-methylindazol-6-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 97434018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).