(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

C19H29N5O2 — CID 109074214

IUPAC(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESCCN1CCN(C(=O)c2nc(C(=O)N3CCCC3)n3c2CCCC3)CC1
InChIInChI=1S/C19H29N5O2/c1-2-21-11-13-23(14-12-21)18(25)16-15-7-3-4-10-24(15)17(20-16)19(26)22-8-5-6-9-22/h2-14H2,1H3
InChIKeyGNJBLLAMXKNFFZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.23
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 109074214) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID109074214
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESCCN1CCN(C(=O)c2nc(C(=O)N3CCCC3)n3c2CCCC3)CC1
InChIInChI=1S/C19H29N5O2/c1-2-21-11-13-23(14-12-21)18(25)16-15-7-3-4-10-24(15)17(20-16)19(26)22-8-5-6-9-22/h2-14H2,1H3
InChIKeyGNJBLLAMXKNFFZ-UHFFFAOYSA-N
XLogP1.23
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (CID 109074214) is (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is CCN1CCN(C(=O)c2nc(C(=O)N3CCCC3)n3c2CCCC3)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is GNJBLLAMXKNFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-2-21-11-13-23(14-12-21)18(25)16-15-7-3-4-10-24(15)17(20-16)19(26)22-8-5-6-9-22/h2-14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 109074214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).