N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

C24H21FN4O3 — CID 11224238

IUPACN-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21
InChIInChI=1S/C24H21FN4O3/c25-11-15-2-1-3-17(10-15)18-12-27-23(28-13-18)29-21(30)16-4-7-24(8-5-16)20-14-26-9-6-19(20)22(31)32-24/h1-3,6,9-10,12-14,16H,4-5,7-8,11H2,(H,27,28,29,30)
InChIKeySKZUSZAWDBQAEK-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.20
Rot. Bonds4

About N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 11224238) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID11224238
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21
InChIInChI=1S/C24H21FN4O3/c25-11-15-2-1-3-17(10-15)18-12-27-23(28-13-18)29-21(30)16-4-7-24(8-5-16)20-14-26-9-6-19(20)22(31)32-24/h1-3,6,9-10,12-14,16H,4-5,7-8,11H2,(H,27,28,29,30)
InChIKeySKZUSZAWDBQAEK-UHFFFAOYSA-N
XLogP4.20
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 11224238) is N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21.
What is the InChIKey of N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is SKZUSZAWDBQAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-11-15-2-1-3-17(10-15)18-12-27-23(28-13-18)29-21(30)16-4-7-24(8-5-16)20-14-26-9-6-19(20)22(31)32-24/h1-3,6,9-10,12-14,16H,4-5,7-8,11H2,(H,27,28,29,30).
What are the key properties of N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(fluoromethyl)phenyl]pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 11224238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).