[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol

C17H30N6O — CID 72838441

IUPAC[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCN1CCN(C[C@@H]2CN(c3nccnc3N(C)C)C[C@@H]2CO)CC1
InChIInChI=1S/C17H30N6O/c1-20(2)16-17(19-5-4-18-16)23-11-14(15(12-23)13-24)10-22-8-6-21(3)7-9-22/h4-5,14-15,24H,6-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyBCZAQDMFXIPOQI-HUUCEWRRSA-N
MW334.47 g/mol
LogP-0.17
Rot. Bonds5

About [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 72838441) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID72838441
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCN1CCN(C[C@@H]2CN(c3nccnc3N(C)C)C[C@@H]2CO)CC1
InChIInChI=1S/C17H30N6O/c1-20(2)16-17(19-5-4-18-16)23-11-14(15(12-23)13-24)10-22-8-6-21(3)7-9-22/h4-5,14-15,24H,6-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyBCZAQDMFXIPOQI-HUUCEWRRSA-N
XLogP-0.17
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol (CID 72838441) is [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol is CN1CCN(C[C@@H]2CN(c3nccnc3N(C)C)C[C@@H]2CO)CC1.
What is the InChIKey of [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is BCZAQDMFXIPOQI-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30N6O/c1-20(2)16-17(19-5-4-18-16)23-11-14(15(12-23)13-24)10-22-8-6-21(3)7-9-22/h4-5,14-15,24H,6-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 334.47 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72838441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).