1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol

C22H33N7O — CID 90654805

IUPAC1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol
SMILESCN(C)CC(O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
InChIKeyXJBTVKIGCWNSPP-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.18
Rot. Bonds7

About 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol

1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 90654805) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID90654805
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC Name1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol
SMILESCN(C)CC(O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
InChIKeyXJBTVKIGCWNSPP-UHFFFAOYSA-N
XLogP1.18
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol 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-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol (CID 90654805) is 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol is CN(C)CC(O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1.
What is the InChIKey of 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is XJBTVKIGCWNSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol?
1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 411.55 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 90654805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).