4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide

C24H21FN6O2 — CID 118341758

IUPAC4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(F)CN1C(=O)Cn1ccc2cc(-c3ccnnc3)ccc21
InChIInChI=1S/C24H21FN6O2/c25-19-11-22(24(33)29-20-2-1-7-26-13-20)31(14-19)23(32)15-30-9-6-17-10-16(3-4-21(17)30)18-5-8-27-28-12-18/h1-10,12-13,19,22H,11,14-15H2,(H,29,33)
InChIKeyUUMOAOVLEZWRHY-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.07
Rot. Bonds5

About 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide

4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 118341758) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID118341758
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(F)CN1C(=O)Cn1ccc2cc(-c3ccnnc3)ccc21
InChIInChI=1S/C24H21FN6O2/c25-19-11-22(24(33)29-20-2-1-7-26-13-20)31(14-19)23(32)15-30-9-6-17-10-16(3-4-21(17)30)18-5-8-27-28-12-18/h1-10,12-13,19,22H,11,14-15H2,(H,29,33)
InChIKeyUUMOAOVLEZWRHY-UHFFFAOYSA-N
XLogP3.07
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(2S,4R)-4-fluoro-2-(pyridin-3-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
CID 138626418
1-[2-[(2S,4R)-2-[(6-bromopyrazin-2-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
CID 139314119
(2S,4R)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-(6-methylpyrazin-2-yl)pyrrolidine-2-carboxamide
CID 144912301
1-[2-[(2S,4R)-2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118323753
1-[2-[2-[[4-(aminomethyl)phenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334483
(2S,4R)-1-[2-(3-acetyl-5-pyridin-3-ylindol-1-yl)acetyl]-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 161131415
1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-N-(2-ethyl-3-oxo-1H-isoindol-5-yl)-4-fluoropyrrolidine-2-carboxamide
CID 123312169
1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123183892
1-[2-[(2S,4R)-2-[(2,2-dimethyl-3H-1-benzofuran-6-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
CID 138525590
(2S,4R)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 118323531
1-[2-[4-fluoro-2-[hydroxy-(pyridin-3-ylamino)methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123433633
9H-fluoren-9-ylmethyl N-[[4-[[(4R)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]phenyl]methyl]carbamate
CID 146238422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 118341758) is 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide is O=C(Nc1cccnc1)C1CC(F)CN1C(=O)Cn1ccc2cc(-c3ccnnc3)ccc21.
What is the InChIKey of 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is UUMOAOVLEZWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c25-19-11-22(24(33)29-20-2-1-7-26-13-20)31(14-19)23(32)15-30-9-6-17-10-16(3-4-21(17)30)18-5-8-27-28-12-18/h1-10,12-13,19,22H,11,14-15H2,(H,29,33).
What are the key properties of 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide?
4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-(5-pyridazin-4-ylindol-1-yl)acetyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118341758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).