[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

C19H21N5O2 — CID 71724971

IUPAC[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
SMILESO=C(c1cc2cccnc2[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C19H21N5O2/c25-19(17-13-15-3-1-6-21-18(15)22-17)24-9-7-23(8-10-24)11-12-26-16-4-2-5-20-14-16/h1-6,13-14H,7-12H2,(H,21,22)
InChIKeyLXZRZJUUHTZVBE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.79
Rot. Bonds5

About [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (PubChem CID 71724971) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
PubChem CID71724971
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
SMILESO=C(c1cc2cccnc2[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C19H21N5O2/c25-19(17-13-15-3-1-6-21-18(15)22-17)24-9-7-23(8-10-24)11-12-26-16-4-2-5-20-14-16/h1-6,13-14H,7-12H2,(H,21,22)
InChIKeyLXZRZJUUHTZVBE-UHFFFAOYSA-N
XLogP1.79
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The IUPAC name of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (CID 71724971) is [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The canonical SMILES for [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is O=C(c1cc2cccnc2[nH]1)N1CCN(CCOc2cccnc2)CC1.
What is the InChIKey of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The InChIKey is LXZRZJUUHTZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(17-13-15-3-1-6-21-18(15)22-17)24-9-7-23(8-10-24)11-12-26-16-4-2-5-20-14-16/h1-6,13-14H,7-12H2,(H,21,22).
What are the key properties of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 71724971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).