(1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

C18H25N5O2 — CID 87053022

IUPAC(1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C18H25N5O2/c1-3-13-25-17-16(19-8-9-20-17)21-14-6-11-23(12-7-14)18(24)15-5-4-10-22(15)2/h4-5,8-10,14H,3,6-7,11-13H2,1-2H3,(H,19,21)
InChIKeyLXBRALXGTYEURG-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.32
Rot. Bonds6

About (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 87053022) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID87053022
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C18H25N5O2/c1-3-13-25-17-16(19-8-9-20-17)21-14-6-11-23(12-7-14)18(24)15-5-4-10-22(15)2/h4-5,8-10,14H,3,6-7,11-13H2,1-2H3,(H,19,21)
InChIKeyLXBRALXGTYEURG-UHFFFAOYSA-N
XLogP2.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (CID 87053022) is (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is CCCOc1nccnc1NC1CCN(C(=O)c2cccn2C)CC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is LXBRALXGTYEURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-13-25-17-16(19-8-9-20-17)21-14-6-11-23(12-7-14)18(24)15-5-4-10-22(15)2/h4-5,8-10,14H,3,6-7,11-13H2,1-2H3,(H,19,21).
What are the key properties of (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 87053022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).