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

C23H20FN5O2 — CID 118662722

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H20FN5O2/c1-15-18-7-6-16(22(30)28-8-10-31-11-9-28)12-21(18)29(27-15)23-25-13-17(14-26-23)19-4-2-3-5-20(19)24/h2-7,12-14H,8-11H2,1H3
InChIKeyXWZXNTAOKAZULJ-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.40
Rot. Bonds3

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

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662722) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone
PubChem CID118662722
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H20FN5O2/c1-15-18-7-6-16(22(30)28-8-10-31-11-9-28)12-21(18)29(27-15)23-25-13-17(14-26-23)19-4-2-3-5-20(19)24/h2-7,12-14H,8-11H2,1H3
InChIKeyXWZXNTAOKAZULJ-UHFFFAOYSA-N
XLogP3.40
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone (CID 118662722) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone is Cc1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is XWZXNTAOKAZULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-15-18-7-6-16(22(30)28-8-10-31-11-9-28)12-21(18)29(27-15)23-25-13-17(14-26-23)19-4-2-3-5-20(19)24/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 417.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).