(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C19H20FN5O — CID 124976851

IUPAC(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCNc1cc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)nc(C)n1
InChIInChI=1S/C19H20FN5O/c1-11-22-15(10-18(21-2)23-11)17-4-3-7-25(17)19(26)16-9-12-8-13(20)5-6-14(12)24-16/h5-6,8-10,17,24H,3-4,7H2,1-2H3,(H,21,22,23)/t17-/m0/s1
InChIKeyLIKAAJHXCVFLJL-KRWDZBQOSA-N
MW353.40 g/mol
LogP3.42
Rot. Bonds3

About (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 124976851) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID124976851
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCNc1cc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)nc(C)n1
InChIInChI=1S/C19H20FN5O/c1-11-22-15(10-18(21-2)23-11)17-4-3-7-25(17)19(26)16-9-12-8-13(20)5-6-14(12)24-16/h5-6,8-10,17,24H,3-4,7H2,1-2H3,(H,21,22,23)/t17-/m0/s1
InChIKeyLIKAAJHXCVFLJL-KRWDZBQOSA-N
XLogP3.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 110113693
1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124950054
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 87042859
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110113681
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92639956
(5-fluoro-1H-indol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698506
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124975862
2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124957065
2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110091144
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124955176

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 124976851) is (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is CNc1cc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)nc(C)n1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is LIKAAJHXCVFLJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-11-22-15(10-18(21-2)23-11)17-4-3-7-25(17)19(26)16-9-12-8-13(20)5-6-14(12)24-16/h5-6,8-10,17,24H,3-4,7H2,1-2H3,(H,21,22,23)/t17-/m0/s1.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 353.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124976851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).