(5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one

C21H23FN6O — CID 90458661

IUPAC(5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)CC[C@@H]2C)n1)c1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C21H23FN6O/c1-13-4-9-19(29)28(13)20-18(22)11-23-21(26-20)25-14(2)15-5-7-16(8-6-15)17-10-24-27(3)12-17/h5-8,10-14H,4,9H2,1-3H3,(H,23,25,26)/t13-,14-/m0/s1
InChIKeyINWUWBSGSMDGST-KBPBESRZSA-N
MW394.45 g/mol
LogP3.70
Rot. Bonds5

About (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one

(5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one (PubChem CID 90458661) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one
PubChem CID90458661
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name(5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)CC[C@@H]2C)n1)c1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C21H23FN6O/c1-13-4-9-19(29)28(13)20-18(22)11-23-21(26-20)25-14(2)15-5-7-16(8-6-15)17-10-24-27(3)12-17/h5-8,10-14H,4,9H2,1-3H3,(H,23,25,26)/t13-,14-/m0/s1
InChIKeyINWUWBSGSMDGST-KBPBESRZSA-N
XLogP3.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one 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

(5R)-1-[2-[[(1S)-1-[4-[(4-acetylpiperazin-1-yl)methyl]-3-fluorophenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-5-methylpyrrolidin-2-one
CID 90460178
[1-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-5-oxopyrrolidin-2-yl]methyl methanesulfonate
CID 90458494
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one
CID 118660683
6-N-[1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 75236651
3-[5-fluoro-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285211
N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 89479107
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
(5R)-1-[2-[[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one
CID 90459583
3-[5-fluoro-2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89489887
(4R)-3-[2-[[(1S)-1-(4-bromo-3-fluorophenyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 134274481
3-[2-[[(1R)-1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416342

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one?
The IUPAC name of (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one (CID 90458661) is (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one is C[C@H](Nc1ncc(F)c(N2C(=O)CC[C@@H]2C)n1)c1ccc(-c2cnn(C)c2)cc1.
What is the InChIKey of (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one?
The InChIKey is INWUWBSGSMDGST-KBPBESRZSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-13-4-9-19(29)28(13)20-18(22)11-23-21(26-20)25-14(2)15-5-7-16(8-6-15)17-10-24-27(3)12-17/h5-8,10-14H,4,9H2,1-3H3,(H,23,25,26)/t13-,14-/m0/s1.
What are the key properties of (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one?
(5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one has a molecular weight of 394.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[5-fluoro-2-[[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 90458661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).