1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone

C20H22FN5O — CID 126670822

IUPAC1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone
SMILESCC(=O)c1nn(CCC2C[C@H](F)CN2)c2ccc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C20H22FN5O/c1-12(27)20-18-7-14(15-9-22-13(2)23-10-15)3-4-19(18)26(25-20)6-5-17-8-16(21)11-24-17/h3-4,7,9-10,16-17,24H,5-6,8,11H2,1-2H3/t16-,17?/m0/s1
InChIKeyAQBYHALPGFNIAF-BHWOMJMDSA-N
MW367.43 g/mol
LogP3.09
Rot. Bonds5

About 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone

1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone (PubChem CID 126670822) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone
PubChem CID126670822
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone
SMILESCC(=O)c1nn(CCC2C[C@H](F)CN2)c2ccc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C20H22FN5O/c1-12(27)20-18-7-14(15-9-22-13(2)23-10-15)3-4-19(18)26(25-20)6-5-17-8-16(21)11-24-17/h3-4,7,9-10,16-17,24H,5-6,8,11H2,1-2H3/t16-,17?/m0/s1
InChIKeyAQBYHALPGFNIAF-BHWOMJMDSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]ethyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 146404729
1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone
CID 146415639
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]ethyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide
CID 138626526
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(cyanomethyl)-4-fluoropyrrolidine-2-carboxamide
CID 135149203
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 126623461
(2S,4S)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-1-carboxamide
CID 126643260
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-(3-fluoro-4-methylpent-2-en-2-yl)pyrrolidine-2-carboxamide
CID 175208199
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[(2S,4R)-4-fluoro-2-[3-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]ethanone
CID 140882453
1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid
CID 126643054
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(3-bromo-2,4-difluorophenyl)-4-fluoropyrrolidine-2-carboxamide
CID 126643202
1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(3-cyclopropyl-6-methyl-2-pyridinyl)ethanone
CID 161097108
1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(3-bromo-2-chlorophenyl)ethanone
CID 147187258

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone (CID 126670822) is 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone is CC(=O)c1nn(CCC2C[C@H](F)CN2)c2ccc(-c3cnc(C)nc3)cc12.
What is the InChIKey of 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone?
The InChIKey is AQBYHALPGFNIAF-BHWOMJMDSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-12(27)20-18-7-14(15-9-22-13(2)23-10-15)3-4-19(18)26(25-20)6-5-17-8-16(21)11-24-17/h3-4,7,9-10,16-17,24H,5-6,8,11H2,1-2H3/t16-,17?/m0/s1.
What are the key properties of 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone?
1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone has a molecular weight of 367.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone is sourced from PubChem (CID 126670822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).