1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

C21H24Cl2FN5O4 — CID 72710149

IUPAC1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCO[C@H]1[C@@H](C(=O)N[C@H](C)[C@H]2CC2(Cl)Cl)N(C(=O)Cn2nc(C(N)=O)c3ccccc32)C[C@@H]1F
InChIInChI=1S/C21H24Cl2FN5O4/c1-10(12-7-21(12,22)23)26-20(32)17-18(33-2)13(24)8-28(17)15(30)9-29-14-6-4-3-5-11(14)16(27-29)19(25)31/h3-6,10,12-13,17-18H,7-9H2,1-2H3,(H2,25,31)(H,26,32)/t10-,12-,13+,17+,18-/m1/s1
InChIKeyKZAOWRGXQWEFHS-DUIAUIJQSA-N
MW500.36 g/mol
LogP1.40
Rot. Bonds7

About 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72710149) has the molecular formula C21H24Cl2FN5O4 and a molecular weight of 500.36 g/mol. Its IUPAC name is 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72710149
Molecular FormulaC21H24Cl2FN5O4
Molecular Weight500.36 g/mol
Exact Mass499.12
IUPAC Name1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCO[C@H]1[C@@H](C(=O)N[C@H](C)[C@H]2CC2(Cl)Cl)N(C(=O)Cn2nc(C(N)=O)c3ccccc32)C[C@@H]1F
InChIInChI=1S/C21H24Cl2FN5O4/c1-10(12-7-21(12,22)23)26-20(32)17-18(33-2)13(24)8-28(17)15(30)9-29-14-6-4-3-5-11(14)16(27-29)19(25)31/h3-6,10,12-13,17-18H,7-9H2,1-2H3,(H2,25,31)(H,26,32)/t10-,12-,13+,17+,18-/m1/s1
InChIKeyKZAOWRGXQWEFHS-DUIAUIJQSA-N
XLogP1.40
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
methyl (1-(5-fluoropentyl)-1H-indazole-3-carbonyl)valinate
CID 119025812
5-Fluoro-AB-PINACA
CID 91936927
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 21252891
2-(1-(5-Fluoropentyl)-1H-indazole-3-ylcarbonylamino)-3-methylbutanoic acid methyl ester
CID 102333975
5F-Emb-pinaca
CID 125181449
1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442
1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 10732996
5-Chloro-AB-PINACA
CID 91936938
N-[(1R,5S)-8-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70688534

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72710149) is 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is CO[C@H]1[C@@H](C(=O)N[C@H](C)[C@H]2CC2(Cl)Cl)N(C(=O)Cn2nc(C(N)=O)c3ccccc32)C[C@@H]1F.
What is the InChIKey of 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is KZAOWRGXQWEFHS-DUIAUIJQSA-N. The full InChI is InChI=1S/C21H24Cl2FN5O4/c1-10(12-7-21(12,22)23)26-20(32)17-18(33-2)13(24)8-28(17)15(30)9-29-14-6-4-3-5-11(14)16(27-29)19(25)31/h3-6,10,12-13,17-18H,7-9H2,1-2H3,(H2,25,31)(H,26,32)/t10-,12-,13+,17+,18-/m1/s1.
What are the key properties of 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 500.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,3S,4S)-2-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-4-fluoro-3-methoxypyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72710149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).