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

C25H21F2N5O2 — CID 138687306

IUPAC2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)[C@@H]1c1ccccc1
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)/t20-,23+/m0/s1
InChIKeyOHVFFFTUSFPCNO-NZQKXSOJSA-N
MW461.47 g/mol
LogP4.04
Rot. Bonds5

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

2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide (PubChem CID 138687306) has the molecular formula C25H21F2N5O2 and a molecular weight of 461.47 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
PubChem CID138687306
Molecular FormulaC25H21F2N5O2
Molecular Weight461.47 g/mol
Exact Mass461.17
IUPAC Name2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)[C@@H]1c1ccccc1
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)/t20-,23+/m0/s1
InChIKeyOHVFFFTUSFPCNO-NZQKXSOJSA-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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Related Compounds

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(6-(trifluoromethyl)pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11569498
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyrazin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11604313
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(1H-indol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646200
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
N-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10163439
N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10221771

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide (CID 138687306) is 2,2-difluoro-N-[(2R,3S)-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-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)[C@@H]1c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is OHVFFFTUSFPCNO-NZQKXSOJSA-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)/t20-,23+/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2R,3S)-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-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138687306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).