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

C26H26FN5O3 — CID 118662736

IUPAC[1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(F)c(-c2cnc(-n3nc(C(C)O)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H26FN5O3/c1-3-17-4-7-22(27)21(12-17)19-14-28-26(29-15-19)32-23-13-18(25(34)31-8-10-35-11-9-31)5-6-20(23)24(30-32)16(2)33/h4-7,12-16,33H,3,8-11H2,1-2H3
InChIKeyWIMZUEOAKUOHPO-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.71
Rot. Bonds5

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

[1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662736) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID118662736
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name[1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(F)c(-c2cnc(-n3nc(C(C)O)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H26FN5O3/c1-3-17-4-7-22(27)21(12-17)19-14-28-26(29-15-19)32-23-13-18(25(34)31-8-10-35-11-9-31)5-6-20(23)24(30-32)16(2)33/h4-7,12-16,33H,3,8-11H2,1-2H3
InChIKeyWIMZUEOAKUOHPO-UHFFFAOYSA-N
XLogP3.71
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 118393738
CID 118393800
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CID 118393863
CID 118393863
CID 118408683
CID 118408683
CID 118408687
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Frequently Asked Questions

What is the IUPAC name of [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone (CID 118662736) is [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone is CCc1ccc(F)c(-c2cnc(-n3nc(C(C)O)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is WIMZUEOAKUOHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-3-17-4-7-22(27)21(12-17)19-14-28-26(29-15-19)32-23-13-18(25(34)31-8-10-35-11-9-31)5-6-20(23)24(30-32)16(2)33/h4-7,12-16,33H,3,8-11H2,1-2H3.
What are the key properties of [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 475.52 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(5-ethyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).