5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide

C24H26F2N4O4 — CID 24865099

IUPAC5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)N[C@H]3CCN(CCO)C3=O)cc21
InChIInChI=1S/C24H26F2N4O4/c1-14(2)13-30-20-11-17(23(32)28-19-5-6-29(7-8-31)24(19)33)22(9-15(20)12-27-30)34-21-4-3-16(25)10-18(21)26/h3-4,9-12,14,19,31H,5-8,13H2,1-2H3,(H,28,32)/t19-/m0/s1
InChIKeyVSLQFRPRIUZTDT-IBGZPJMESA-N
MW472.49 g/mol
LogP3.09
Rot. Bonds8

About 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide

5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide (PubChem CID 24865099) has the molecular formula C24H26F2N4O4 and a molecular weight of 472.49 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide
PubChem CID24865099
Molecular FormulaC24H26F2N4O4
Molecular Weight472.49 g/mol
Exact Mass472.19
IUPAC Name5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)N[C@H]3CCN(CCO)C3=O)cc21
InChIInChI=1S/C24H26F2N4O4/c1-14(2)13-30-20-11-17(23(32)28-19-5-6-29(7-8-31)24(19)33)22(9-15(20)12-27-30)34-21-4-3-16(25)10-18(21)26/h3-4,9-12,14,19,31H,5-8,13H2,1-2H3,(H,28,32)/t19-/m0/s1
InChIKeyVSLQFRPRIUZTDT-IBGZPJMESA-N
XLogP3.09
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
The IUPAC name of 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide (CID 24865099) is 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)N[C@H]3CCN(CCO)C3=O)cc21.
What is the InChIKey of 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
The InChIKey is VSLQFRPRIUZTDT-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26F2N4O4/c1-14(2)13-30-20-11-17(23(32)28-19-5-6-29(7-8-31)24(19)33)22(9-15(20)12-27-30)34-21-4-3-16(25)10-18(21)26/h3-4,9-12,14,19,31H,5-8,13H2,1-2H3,(H,28,32)/t19-/m0/s1.
What are the key properties of 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide?
5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-1-(2-methylpropyl)indazole-6-carboxamide is sourced from PubChem (CID 24865099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).