[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone

C25H24FN5O3 — CID 118662764

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H24FN5O3/c1-25(2,33)22-19-8-7-16(23(32)30-9-11-34-12-10-30)13-21(19)31(29-22)24-27-14-17(15-28-24)18-5-3-4-6-20(18)26/h3-8,13-15,33H,9-12H2,1-2H3
InChIKeyUEWYILJHJZCDSS-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.32
Rot. Bonds4

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662764) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID118662764
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H24FN5O3/c1-25(2,33)22-19-8-7-16(23(32)30-9-11-34-12-10-30)13-21(19)31(29-22)24-27-14-17(15-28-24)18-5-3-4-6-20(18)26/h3-8,13-15,33H,9-12H2,1-2H3
InChIKeyUEWYILJHJZCDSS-UHFFFAOYSA-N
XLogP3.32
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

US9862707, Example 13
CID 118393689
US9862707, Example 19
CID 118393800
US9862707, Example 42
CID 118408683
US9862707, Example 52
CID 118408687
US9862707, Example 56
CID 118408704
US9862707, Example 39
CID 118408744
US11186582, Example 559
CID 118471111
US11186582, Example 323
CID 118479727
1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659797
1-[5-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659853
1-[5-[2-fluoro-5-(2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659981
US11186582, Example 325
CID 126615631

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone (CID 118662764) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone is CC(C)(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is UEWYILJHJZCDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-25(2,33)22-19-8-7-16(23(32)30-9-11-34-12-10-30)13-21(19)31(29-22)24-27-14-17(15-28-24)18-5-3-4-6-20(18)26/h3-8,13-15,33H,9-12H2,1-2H3.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 461.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).