2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide

C25H21F2N5O2 — CID 138687308

IUPAC2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)C1c1ccccc1
InChIInChI=1S/C25H21F2N5O2/c1-25(26,27)24(34)30-20-13-22(33)31(23(20)16-6-3-2-4-7-16)18-9-10-21-17(12-18)14-29-32(21)19-8-5-11-28-15-19/h2-12,14-15,20,23H,13H2,1H3,(H,30,34)
InChIKeyOHVFFFTUSFPCNO-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.04
Rot. Bonds5

About 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide

2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide (PubChem CID 138687308) has the molecular formula C25H21F2N5O2 and a molecular weight of 461.47 g/mol. Its IUPAC name is 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
PubChem CID138687308
Molecular FormulaC25H21F2N5O2
Molecular Weight461.47 g/mol
Exact Mass461.17
IUPAC Name2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)C1c1ccccc1
InChIInChI=1S/C25H21F2N5O2/c1-25(26,27)24(34)30-20-13-22(33)31(23(20)16-6-3-2-4-7-16)18-9-10-21-17(12-18)14-29-32(21)19-8-5-11-28-15-19/h2-12,14-15,20,23H,13H2,1H3,(H,30,34)
InChIKeyOHVFFFTUSFPCNO-UHFFFAOYSA-N
XLogP4.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide (CID 138687308) is 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)NC1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)C1c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is OHVFFFTUSFPCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2/c1-25(26,27)24(34)30-20-13-22(33)31(23(20)16-6-3-2-4-7-16)18-9-10-21-17(12-18)14-29-32(21)19-8-5-11-28-15-19/h2-12,14-15,20,23H,13H2,1H3,(H,30,34).
What are the key properties of 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 461.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138687308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).