[9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol

C18H26N6O — CID 74232410

IUPAC[9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESOCC1CN(c2cnccn2)CCC12CCN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C18H26N6O/c25-14-15-12-24(17-11-19-4-5-22-17)10-3-18(15)1-8-23(9-2-18)13-16-20-6-7-21-16/h4-7,11,15,25H,1-3,8-10,12-14H2,(H,20,21)
InChIKeyRVVYVVXSBDYMMY-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.30
Rot. Bonds4

About [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol

[9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol (PubChem CID 74232410) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol.

Molecular Properties

Compound Name[9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol
PubChem CID74232410
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name[9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESOCC1CN(c2cnccn2)CCC12CCN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C18H26N6O/c25-14-15-12-24(17-11-19-4-5-22-17)10-3-18(15)1-8-23(9-2-18)13-16-20-6-7-21-16/h4-7,11,15,25H,1-3,8-10,12-14H2,(H,20,21)
InChIKeyRVVYVVXSBDYMMY-UHFFFAOYSA-N
XLogP1.30
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The IUPAC name of [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol (CID 74232410) is [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol.
What is the SMILES notation for [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The canonical SMILES for [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol is OCC1CN(c2cnccn2)CCC12CCN(Cc1ncc[nH]1)CC2.
What is the InChIKey of [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The InChIKey is RVVYVVXSBDYMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c25-14-15-12-24(17-11-19-4-5-22-17)10-3-18(15)1-8-23(9-2-18)13-16-20-6-7-21-16/h4-7,11,15,25H,1-3,8-10,12-14H2,(H,20,21).
What are the key properties of [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
[9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol has a molecular weight of 342.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(1H-imidazol-2-ylmethyl)-3-pyrazin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl]methanol is sourced from PubChem (CID 74232410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).