N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C22H23FN4O3 — CID 70730453

IUPACN-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)CN1CCCC1=O)nn2-c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3/c1-14(2)30-18-9-4-8-17-21(18)22(24-19(28)13-26-11-5-10-20(26)29)25-27(17)16-7-3-6-15(23)12-16/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,24,25,28)
InChIKeyMXPFURFWGWYFQB-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 70730453) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID70730453
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)CN1CCCC1=O)nn2-c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3/c1-14(2)30-18-9-4-8-17-21(18)22(24-19(28)13-26-11-5-10-20(26)29)25-27(17)16-7-3-6-15(23)12-16/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,24,25,28)
InChIKeyMXPFURFWGWYFQB-UHFFFAOYSA-N
XLogP3.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-N'-(4-methoxy-1-methyl-1H-indazol-3-yl)urea
CID 2811425
N-[4-({[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino}methyl)phenyl]acetamide
CID 11269297
(3S)-5-oxo-N-[1-(3-phenylmethoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476589
(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476605
(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476607
(3S)-N-[1-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476608
(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476609
(3S)-N-[1-(4-fluoro-3-methoxyphenyl)-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476613
(3S)-N-[1-(5-ethoxy-2-fluorophenyl)-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476614
(3S)-N-[1-(2-fluoro-5-propan-2-yloxyphenyl)-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476615
(3S)-N-[1-[2-fluoro-5-(2-methoxyethoxy)phenyl]-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476616
(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476734

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 70730453) is N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is CC(C)Oc1cccc2c1c(NC(=O)CN1CCCC1=O)nn2-c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is MXPFURFWGWYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14(2)30-18-9-4-8-17-21(18)22(24-19(28)13-26-11-5-10-20(26)29)25-27(17)16-7-3-6-15(23)12-16/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,24,25,28).
What are the key properties of N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 410.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-4-propan-2-yloxyindazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 70730453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).