[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone

C20H22FN5O — CID 57234124

IUPAC[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone
SMILESCCNc1cccnc1N1CCN(C(=O)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C20H22FN5O/c1-2-22-18-4-3-7-23-19(18)25-8-10-26(11-9-25)20(27)16-13-24-17-6-5-14(21)12-15(16)17/h3-7,12-13,22,24H,2,8-11H2,1H3
InChIKeyYPLCFNYVBJEAQT-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.10
Rot. Bonds4

About [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone

[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 57234124) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID57234124
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone
SMILESCCNc1cccnc1N1CCN(C(=O)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C20H22FN5O/c1-2-22-18-4-3-7-23-19(18)25-8-10-26(11-9-25)20(27)16-13-24-17-6-5-14(21)12-15(16)17/h3-7,12-13,22,24H,2,8-11H2,1H3
InChIKeyYPLCFNYVBJEAQT-UHFFFAOYSA-N
XLogP3.10
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57147611
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone
CID 57065668
[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 56995711
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
N-[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
CID 57188923
(5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57095998
[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone
CID 67755639
(5-nitro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57034003
[6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57316548
3H-benzo[e]indol-1-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57258489
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 57280065
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933

Frequently Asked Questions

What is the IUPAC name of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone (CID 57234124) is [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone is CCNc1cccnc1N1CCN(C(=O)c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is YPLCFNYVBJEAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-2-22-18-4-3-7-23-19(18)25-8-10-26(11-9-25)20(27)16-13-24-17-6-5-14(21)12-15(16)17/h3-7,12-13,22,24H,2,8-11H2,1H3.
What are the key properties of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone?
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone has a molecular weight of 367.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 57234124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).