[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H28N6O — CID 91922296

IUPAC[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1n[nH]c(C)c1CN1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C19H28N6O/c1-14-17(15(2)23-22-14)11-24-8-4-19(5-9-24)13-25(10-16(19)12-26)18-20-6-3-7-21-18/h3,6-7,16,26H,4-5,8-13H2,1-2H3,(H,22,23)
InChIKeyPUOBROBMIZWPLO-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.53
Rot. Bonds4

About [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91922296) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91922296
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1n[nH]c(C)c1CN1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C19H28N6O/c1-14-17(15(2)23-22-14)11-24-8-4-19(5-9-24)13-25(10-16(19)12-26)18-20-6-3-7-21-18/h3,6-7,16,26H,4-5,8-13H2,1-2H3,(H,22,23)
InChIKeyPUOBROBMIZWPLO-UHFFFAOYSA-N
XLogP1.53
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91922296) is [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is Cc1n[nH]c(C)c1CN1CCC2(CC1)CN(c1ncccn1)CC2CO.
What is the InChIKey of [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is PUOBROBMIZWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-17(15(2)23-22-14)11-24-8-4-19(5-9-24)13-25(10-16(19)12-26)18-20-6-3-7-21-18/h3,6-7,16,26H,4-5,8-13H2,1-2H3,(H,22,23).
What are the key properties of [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91922296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).