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

C23H19FN4O3 — CID 11633103

IUPACN-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21
InChIInChI=1S/C23H19FN4O3/c24-19-4-2-1-3-16(19)15-11-26-22(27-12-15)28-20(29)14-5-8-23(9-6-14)18-13-25-10-7-17(18)21(30)31-23/h1-4,7,10-14H,5-6,8-9H2,(H,26,27,28,29)
InChIKeyFCHGVOIDPLAAKF-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.87
Rot. Bonds3

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

N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 11633103) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID11633103
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21
InChIInChI=1S/C23H19FN4O3/c24-19-4-2-1-3-16(19)15-11-26-22(27-12-15)28-20(29)14-5-8-23(9-6-14)18-13-25-10-7-17(18)21(30)31-23/h1-4,7,10-14H,5-6,8-9H2,(H,26,27,28,29)
InChIKeyFCHGVOIDPLAAKF-UHFFFAOYSA-N
XLogP3.87
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 11633103) is N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21.
What is the InChIKey of N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is FCHGVOIDPLAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c24-19-4-2-1-3-16(19)15-11-26-22(27-12-15)28-20(29)14-5-8-23(9-6-14)18-13-25-10-7-17(18)21(30)31-23/h1-4,7,10-14H,5-6,8-9H2,(H,26,27,28,29).
What are the key properties of N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 11633103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).