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

C27H29N5O2 — CID 57065668

IUPAC[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone
SMILESCCNc1cccnc1N1CCN(C(=O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1
InChIInChI=1S/C27H29N5O2/c1-2-28-25-9-6-12-29-26(25)31-13-15-32(16-14-31)27(33)23-18-30-24-11-10-21(17-22(23)24)34-19-20-7-4-3-5-8-20/h3-12,17-18,28,30H,2,13-16,19H2,1H3
InChIKeyCMFSWVRUAFUONP-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.54
Rot. Bonds7

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

[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone (PubChem CID 57065668) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone
PubChem CID57065668
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone
SMILESCCNc1cccnc1N1CCN(C(=O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1
InChIInChI=1S/C27H29N5O2/c1-2-28-25-9-6-12-29-26(25)31-13-15-32(16-14-31)27(33)23-18-30-24-11-10-21(17-22(23)24)34-19-20-7-4-3-5-8-20/h3-12,17-18,28,30H,2,13-16,19H2,1H3
InChIKeyCMFSWVRUAFUONP-UHFFFAOYSA-N
XLogP4.54
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone
CID 57234124
[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 56995711
(5-fluoro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57147611
[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone
CID 67755639
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
N-[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
CID 57188923
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
[6-[2-(2-hydroxyethoxy)ethoxy]-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57207754
(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
(5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57095998
[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-6-yl]methyl methanesulfonate
CID 57028318

Frequently Asked Questions

What is the IUPAC name of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone?
The IUPAC name of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone (CID 57065668) is [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone is CCNc1cccnc1N1CCN(C(=O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1.
What is the InChIKey of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone?
The InChIKey is CMFSWVRUAFUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-2-28-25-9-6-12-29-26(25)31-13-15-32(16-14-31)27(33)23-18-30-24-11-10-21(17-22(23)24)34-19-20-7-4-3-5-8-20/h3-12,17-18,28,30H,2,13-16,19H2,1H3.
What are the key properties of [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone?
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone has a molecular weight of 455.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 57065668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).