(6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol

C19H31N5O — CID 99973341

IUPAC(6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol
SMILESO[C@H]1CN(c2cnccn2)CCN(C2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C19H31N5O/c25-17-14-23(11-12-24(15-17)18-13-21-9-10-22-18)16-1-3-19(4-2-16)5-7-20-8-6-19/h9-10,13,16-17,20,25H,1-8,11-12,14-15H2/t17-/m1/s1
InChIKeyMWHLLSCQFNGRHM-QGZVFWFLSA-N
MW345.49 g/mol
LogP1.27
Rot. Bonds2

About (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol

(6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol (PubChem CID 99973341) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol.

Molecular Properties

Compound Name(6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol
PubChem CID99973341
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol
SMILESO[C@H]1CN(c2cnccn2)CCN(C2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C19H31N5O/c25-17-14-23(11-12-24(15-17)18-13-21-9-10-22-18)16-1-3-19(4-2-16)5-7-20-8-6-19/h9-10,13,16-17,20,25H,1-8,11-12,14-15H2/t17-/m1/s1
InChIKeyMWHLLSCQFNGRHM-QGZVFWFLSA-N
XLogP1.27
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol?
The IUPAC name of (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol (CID 99973341) is (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol.
What is the SMILES notation for (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol?
The canonical SMILES for (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol is O[C@H]1CN(c2cnccn2)CCN(C2CCC3(CCNCC3)CC2)C1.
What is the InChIKey of (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol?
The InChIKey is MWHLLSCQFNGRHM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O/c25-17-14-23(11-12-24(15-17)18-13-21-9-10-22-18)16-1-3-19(4-2-16)5-7-20-8-6-19/h9-10,13,16-17,20,25H,1-8,11-12,14-15H2/t17-/m1/s1.
What are the key properties of (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol?
(6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol has a molecular weight of 345.49 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol is sourced from PubChem (CID 99973341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).