1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

C20H23F2N5O3 — CID 72943923

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C20H23F2N5O3/c1-11(2)14(22)8-24-20(30)16-7-12(21)9-26(16)17(28)10-27-15-6-4-3-5-13(15)18(25-27)19(23)29/h3-6,12,16H,7-10H2,1-2H3,(H2,23,29)(H,24,30)/t12-,16+/m1/s1
InChIKeyIFGZYYJYFNRBSF-WBMJQRKESA-N
MW419.43 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72943923) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72943923
Molecular FormulaC20H23F2N5O3
Molecular Weight419.43 g/mol
Exact Mass419.18
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C20H23F2N5O3/c1-11(2)14(22)8-24-20(30)16-7-12(21)9-26(16)17(28)10-27-15-6-4-3-5-13(15)18(25-27)19(23)29/h3-6,12,16H,7-10H2,1-2H3,(H2,23,29)(H,24,30)/t12-,16+/m1/s1
InChIKeyIFGZYYJYFNRBSF-WBMJQRKESA-N
XLogP1.45
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3510
CID 3510
CID 58124325
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CID 5284566
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CID 57404063
CID 57404063
CID 155907792
CID 155907792
CID 86274158
CID 86274158
CID 44206133
CID 44206133
CID 86287410
CID 86287410
CID 119026173
CID 119026173
CID 119025665
CID 119025665
CID 71301472
CID 71301472
CID 71711119
CID 71711119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72943923) is 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is CC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is IFGZYYJYFNRBSF-WBMJQRKESA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-11(2)14(22)8-24-20(30)16-7-12(21)9-26(16)17(28)10-27-15-6-4-3-5-13(15)18(25-27)19(23)29/h3-6,12,16H,7-10H2,1-2H3,(H2,23,29)(H,24,30)/t12-,16+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72943923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).