1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea

C20H24F2N4O2 — CID 132972674

IUPAC1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC2CCc3ccc(F)c(F)c32)cn1
InChIInChI=1S/C20H24F2N4O2/c1-11(2)26-10-13(9-23-26)19-16(7-8-28-19)25-20(27)24-15-6-4-12-3-5-14(21)18(22)17(12)15/h3,5,9-11,15-16,19H,4,6-8H2,1-2H3,(H2,24,25,27)/t15?,16-,19+/m1/s1
InChIKeyRVQAYWAPYQFBPS-KSBCIKQNSA-N
MW390.43 g/mol
LogP3.56
Rot. Bonds4

About 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea

1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 132972674) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID132972674
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC2CCc3ccc(F)c(F)c32)cn1
InChIInChI=1S/C20H24F2N4O2/c1-11(2)26-10-13(9-23-26)19-16(7-8-28-19)25-20(27)24-15-6-4-12-3-5-14(21)18(22)17(12)15/h3,5,9-11,15-16,19H,4,6-8H2,1-2H3,(H2,24,25,27)/t15?,16-,19+/m1/s1
InChIKeyRVQAYWAPYQFBPS-KSBCIKQNSA-N
XLogP3.56
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea with MolForge

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Related Compounds

(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
1-[4-(dimethylamino)pyrimidin-2-yl]-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 126825461
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 122155807
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
CID 129006215
1-[(1R)-1-(2,6-dimethylphenyl)ethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 100630575
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784
(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129471937
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea (CID 132972674) is 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea is CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)NC2CCc3ccc(F)c(F)c32)cn1.
What is the InChIKey of 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is RVQAYWAPYQFBPS-KSBCIKQNSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-11(2)26-10-13(9-23-26)19-16(7-8-28-19)25-20(27)24-15-6-4-12-3-5-14(21)18(22)17(12)15/h3,5,9-11,15-16,19H,4,6-8H2,1-2H3,(H2,24,25,27)/t15?,16-,19+/m1/s1.
What are the key properties of 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 390.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-2,3-dihydro-1H-inden-1-yl)-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 132972674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).