[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone

C21H24N4O3 — CID 71724949

IUPAC[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4cnccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-17-2-4-18(5-3-17)28-13-12-24-8-10-25(11-9-24)21(26)20-14-16-15-22-7-6-19(16)23-20/h2-7,14-15,23H,8-13H2,1H3
InChIKeyXVJBBDPXCJMUFL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds6

About [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone (PubChem CID 71724949) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
PubChem CID71724949
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4cnccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-17-2-4-18(5-3-17)28-13-12-24-8-10-25(11-9-24)21(26)20-14-16-15-22-7-6-19(16)23-20/h2-7,14-15,23H,8-13H2,1H3
InChIKeyXVJBBDPXCJMUFL-UHFFFAOYSA-N
XLogP2.41
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone (CID 71724949) is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone is COc1ccc(OCCN2CCN(C(=O)c3cc4cnccc4[nH]3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The InChIKey is XVJBBDPXCJMUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-17-2-4-18(5-3-17)28-13-12-24-8-10-25(11-9-24)21(26)20-14-16-15-22-7-6-19(16)23-20/h2-7,14-15,23H,8-13H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone is sourced from PubChem (CID 71724949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).