N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

C28H24FN7O2 — CID 154598036

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(c2ccn(C)n2)C1NC(=O)c1cccnc1
InChIInChI=1S/C28H24FN7O2/c1-17-25(32-27(37)18-4-3-12-30-15-18)26(23-11-13-34(2)33-23)35(28(17)38)22-9-10-24-19(14-22)16-31-36(24)21-7-5-20(29)6-8-21/h3-17,25-26H,1-2H3,(H,32,37)
InChIKeyDMKRINNGJSJRBR-UHFFFAOYSA-N
MW509.55 g/mol
LogP3.82
Rot. Bonds5

About N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 154598036) has the molecular formula C28H24FN7O2 and a molecular weight of 509.55 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID154598036
Molecular FormulaC28H24FN7O2
Molecular Weight509.55 g/mol
Exact Mass509.20
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(c2ccn(C)n2)C1NC(=O)c1cccnc1
InChIInChI=1S/C28H24FN7O2/c1-17-25(32-27(37)18-4-3-12-30-15-18)26(23-11-13-34(2)33-23)35(28(17)38)22-9-10-24-19(14-22)16-31-36(24)21-7-5-20(29)6-8-21/h3-17,25-26H,1-2H3,(H,32,37)
InChIKeyDMKRINNGJSJRBR-UHFFFAOYSA-N
XLogP3.82
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 154598036) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is CC1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(c2ccn(C)n2)C1NC(=O)c1cccnc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is DMKRINNGJSJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O2/c1-17-25(32-27(37)18-4-3-12-30-15-18)26(23-11-13-34(2)33-23)35(28(17)38)22-9-10-24-19(14-22)16-31-36(24)21-7-5-20(29)6-8-21/h3-17,25-26H,1-2H3,(H,32,37).
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 509.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154598036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).