(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

C20H21FN4O — CID 124982715

IUPAC(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)c1
InChIInChI=1S/C20H21FN4O/c1-12-7-16(22-2)10-18(23-12)13-5-6-25(11-13)20(26)19-9-14-8-15(21)3-4-17(14)24-19/h3-4,7-10,13,24H,5-6,11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyMZBDGTAVWBFCMW-CYBMUJFWSA-N
MW352.41 g/mol
LogP3.68
Rot. Bonds3

About (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 124982715) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID124982715
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)c1
InChIInChI=1S/C20H21FN4O/c1-12-7-16(22-2)10-18(23-12)13-5-6-25(11-13)20(26)19-9-14-8-15(21)3-4-17(14)24-19/h3-4,7-10,13,24H,5-6,11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyMZBDGTAVWBFCMW-CYBMUJFWSA-N
XLogP3.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113526
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110104161
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
6-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124967205
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124976851
(2S)-1-acetyl-4-(5-fluoro-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125014734
(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247628
3-[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110089095
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 124982715) is (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)c1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is MZBDGTAVWBFCMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-12-7-16(22-2)10-18(23-12)13-5-6-25(11-13)20(26)19-9-14-8-15(21)3-4-17(14)24-19/h3-4,7-10,13,24H,5-6,11H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124982715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).