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

C20H18N4O2 — CID 99716112

IUPAC1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C20H18N4O2/c25-17-12-14-8-4-5-9-15(14)19(17)22-20(26)21-18-11-10-16(23-24-18)13-6-2-1-3-7-13/h1-11,17,19,25H,12H2,(H2,21,22,24,26)/t17-,19-/m1/s1
InChIKeyHEPWIDFBKHISOX-IEBWSBKVSA-N
MW346.39 g/mol
LogP2.92
Rot. Bonds3

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

1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea (PubChem CID 99716112) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea
PubChem CID99716112
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C20H18N4O2/c25-17-12-14-8-4-5-9-15(14)19(17)22-20(26)21-18-11-10-16(23-24-18)13-6-2-1-3-7-13/h1-11,17,19,25H,12H2,(H2,21,22,24,26)/t17-,19-/m1/s1
InChIKeyHEPWIDFBKHISOX-IEBWSBKVSA-N
XLogP2.92
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea with MolForge

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea
CID 122143487
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 75523399
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110908027
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 110903496
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365419
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 111658856
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 48806978
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea (CID 99716112) is 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea is O=C(Nc1ccc(-c2ccccc2)nn1)N[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea?
The InChIKey is HEPWIDFBKHISOX-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-17-12-14-8-4-5-9-15(14)19(17)22-20(26)21-18-11-10-16(23-24-18)13-6-2-1-3-7-13/h1-11,17,19,25H,12H2,(H2,21,22,24,26)/t17-,19-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea?
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea has a molecular weight of 346.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea is sourced from PubChem (CID 99716112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).