2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

C26H23F2N5O2 — CID 138687271

IUPAC2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCc1ccc(-n2ncc3cc(N4C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)cn1
InChIInChI=1S/C26H23F2N5O2/c1-16-8-9-20(15-29-16)33-22-11-10-19(12-18(22)14-30-33)32-23(34)13-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17/h3-12,14-15,21,24H,13H2,1-2H3,(H,31,35)/t21-,24+/m1/s1
InChIKeyOUGCOEZYAKTVHF-QPPBQGQZSA-N
MW475.50 g/mol
LogP4.35
Rot. Bonds5

About 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (PubChem CID 138687271) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
PubChem CID138687271
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC Name2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
SMILESCc1ccc(-n2ncc3cc(N4C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)cn1
InChIInChI=1S/C26H23F2N5O2/c1-16-8-9-20(15-29-16)33-22-11-10-19(12-18(22)14-30-33)32-23(34)13-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17/h3-12,14-15,21,24H,13H2,1-2H3,(H,31,35)/t21-,24+/m1/s1
InChIKeyOUGCOEZYAKTVHF-QPPBQGQZSA-N
XLogP4.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
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-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide (CID 138687271) is 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is Cc1ccc(-n2ncc3cc(N4C(=O)C[C@@H](NC(=O)C(C)(F)F)[C@@H]4c4ccccc4)ccc32)cn1.
What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is OUGCOEZYAKTVHF-QPPBQGQZSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-16-8-9-20(15-29-16)33-22-11-10-19(12-18(22)14-30-33)32-23(34)13-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17/h3-12,14-15,21,24H,13H2,1-2H3,(H,31,35)/t21-,24+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2S,3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 475.50 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-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138687271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).