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

C24H22FN5O3 — CID 118662745

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H22FN5O3/c1-15(31)22-19-7-6-16(23(32)29-8-10-33-11-9-29)12-21(19)30(28-22)24-26-13-17(14-27-24)18-4-2-3-5-20(18)25/h2-7,12-15,31H,8-11H2,1H3
InChIKeyRVOJEFZRSUSPCG-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.15
Rot. Bonds4

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

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662745) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID118662745
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H22FN5O3/c1-15(31)22-19-7-6-16(23(32)29-8-10-33-11-9-29)12-21(19)30(28-22)24-26-13-17(14-27-24)18-4-2-3-5-20(18)25/h2-7,12-15,31H,8-11H2,1H3
InChIKeyRVOJEFZRSUSPCG-UHFFFAOYSA-N
XLogP3.15
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone (CID 118662745) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone is CC(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is RVOJEFZRSUSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-15(31)22-19-7-6-16(23(32)29-8-10-33-11-9-29)12-21(19)30(28-22)24-26-13-17(14-27-24)18-4-2-3-5-20(18)25/h2-7,12-15,31H,8-11H2,1H3.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 447.47 g/mol, XLogP of 3.15, 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-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).