1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one

C22H19FN6O — CID 118937573

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one
SMILESCc1nccnc1CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C22H19FN6O/c1-15-18(25-10-9-24-15)14-27-11-12-28(22(27)30)19-7-4-8-20-16(19)13-26-29(20)21-6-3-2-5-17(21)23/h2-10,13H,11-12,14H2,1H3
InChIKeyLPPDHTYPNDXOHR-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.71
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one (PubChem CID 118937573) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one
PubChem CID118937573
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one
SMILESCc1nccnc1CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C22H19FN6O/c1-15-18(25-10-9-24-15)14-27-11-12-28(22(27)30)19-7-4-8-20-16(19)13-26-29(20)21-6-3-2-5-17(21)23/h2-10,13H,11-12,14H2,1H3
InChIKeyLPPDHTYPNDXOHR-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one (CID 118937573) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one is Cc1nccnc1CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one?
The InChIKey is LPPDHTYPNDXOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-15-18(25-10-9-24-15)14-27-11-12-28(22(27)30)19-7-4-8-20-16(19)13-26-29(20)21-6-3-2-5-17(21)23/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one has a molecular weight of 402.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(3-methylpyrazin-2-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 118937573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).