methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate

C24H20FN5O4 — CID 118662786

IUPACmethyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H20FN5O4/c1-33-23(32)21-18-7-6-15(22(31)29-8-10-34-11-9-29)12-20(18)30(28-21)24-26-13-16(14-27-24)17-4-2-3-5-19(17)25/h2-7,12-14H,8-11H2,1H3
InChIKeyBUXOYVUOSYPWFM-UHFFFAOYSA-N
MW461.45 g/mol
LogP2.88
Rot. Bonds4

About methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate

methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate (PubChem CID 118662786) has the molecular formula C24H20FN5O4 and a molecular weight of 461.45 g/mol. Its IUPAC name is methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate
PubChem CID118662786
Molecular FormulaC24H20FN5O4
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Namemethyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H20FN5O4/c1-33-23(32)21-18-7-6-15(22(31)29-8-10-34-11-9-29)12-20(18)30(28-21)24-26-13-16(14-27-24)17-4-2-3-5-19(17)25/h2-7,12-14H,8-11H2,1H3
InChIKeyBUXOYVUOSYPWFM-UHFFFAOYSA-N
XLogP2.88
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate (CID 118662786) is methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate is COC(=O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate?
The InChIKey is BUXOYVUOSYPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O4/c1-33-23(32)21-18-7-6-15(22(31)29-8-10-34-11-9-29)12-20(18)30(28-21)24-26-13-16(14-27-24)17-4-2-3-5-19(17)25/h2-7,12-14H,8-11H2,1H3.
What are the key properties of methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate?
methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate has a molecular weight of 461.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-(morpholine-4-carbonyl)indazole-3-carboxylate is sourced from PubChem (CID 118662786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).