2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

C25H26F2N4O3 — CID 138684682

IUPAC2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCO3)c2)[C@H]1c1ccccc1
InChIInChI=1S/C25H26F2N4O3/c1-25(26,27)24(33)29-19-14-21(32)30(23(19)16-7-3-2-4-8-16)18-10-11-20-17(13-18)15-28-31(20)22-9-5-6-12-34-22/h2-4,7-8,10-11,13,15,19,22-23H,5-6,9,12,14H2,1H3,(H,29,33)/t19-,22?,23+/m1/s1
InChIKeyBMNOWNFLYRGRMF-QREQTRJTSA-N
MW468.50 g/mol
LogP4.35
Rot. Bonds5

About 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 138684682) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID138684682
Molecular FormulaC25H26F2N4O3
Molecular Weight468.50 g/mol
Exact Mass468.20
IUPAC Name2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCO3)c2)[C@H]1c1ccccc1
InChIInChI=1S/C25H26F2N4O3/c1-25(26,27)24(33)29-19-14-21(32)30(23(19)16-7-3-2-4-8-16)18-10-11-20-17(13-18)15-28-31(20)22-9-5-6-12-34-22/h2-4,7-8,10-11,13,15,19,22-23H,5-6,9,12,14H2,1H3,(H,29,33)/t19-,22?,23+/m1/s1
InChIKeyBMNOWNFLYRGRMF-QREQTRJTSA-N
XLogP4.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.35
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-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 138684682) is 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCO3)c2)[C@H]1c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is BMNOWNFLYRGRMF-QREQTRJTSA-N. The full InChI is InChI=1S/C25H26F2N4O3/c1-25(26,27)24(33)29-19-14-21(32)30(23(19)16-7-3-2-4-8-16)18-10-11-20-17(13-18)15-28-31(20)22-9-5-6-12-34-22/h2-4,7-8,10-11,13,15,19,22-23H,5-6,9,12,14H2,1H3,(H,29,33)/t19-,22?,23+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 468.50 g/mol, XLogP of 4.35, 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-[(2S,3R)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138684682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).