1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C19H20N4O2 — CID 99816453

IUPAC1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCn1ncc2ccc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)cc21
InChIInChI=1S/C19H20N4O2/c1-2-23-16-10-14(8-7-13(16)11-20-23)21-19(25)22-18-15-6-4-3-5-12(15)9-17(18)24/h3-8,10-11,17-18,24H,2,9H2,1H3,(H2,21,22,25)/t17-,18+/m1/s1
InChIKeyHWTDTSBJGGTTQO-MSOLQXFVSA-N
MW336.40 g/mol
LogP2.84
Rot. Bonds3

About 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 99816453) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID99816453
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCn1ncc2ccc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)cc21
InChIInChI=1S/C19H20N4O2/c1-2-23-16-10-14(8-7-13(16)11-20-23)21-19(25)22-18-15-6-4-3-5-12(15)9-17(18)24/h3-8,10-11,17-18,24H,2,9H2,1H3,(H2,21,22,25)/t17-,18+/m1/s1
InChIKeyHWTDTSBJGGTTQO-MSOLQXFVSA-N
XLogP2.84
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 99816453) is 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CCn1ncc2ccc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)cc21.
What is the InChIKey of 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is HWTDTSBJGGTTQO-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-23-16-10-14(8-7-13(16)11-20-23)21-19(25)22-18-15-6-4-3-5-12(15)9-17(18)24/h3-8,10-11,17-18,24H,2,9H2,1H3,(H2,21,22,25)/t17-,18+/m1/s1.
What are the key properties of 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 336.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 99816453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).