[4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol

C17H27N3O — CID 82212381

IUPAC[4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
SMILESCC(C)CN(Cc1cccn2ncc(CO)c12)CC(C)C
InChIInChI=1S/C17H27N3O/c1-13(2)9-19(10-14(3)4)11-15-6-5-7-20-17(15)16(12-21)8-18-20/h5-8,13-14,21H,9-12H2,1-4H3
InChIKeyXBUZODAZZHPQDY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.94
Rot. Bonds7

About [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol

[4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol (PubChem CID 82212381) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
PubChem CID82212381
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
SMILESCC(C)CN(Cc1cccn2ncc(CO)c12)CC(C)C
InChIInChI=1S/C17H27N3O/c1-13(2)9-19(10-14(3)4)11-15-6-5-7-20-17(15)16(12-21)8-18-20/h5-8,13-14,21H,9-12H2,1-4H3
InChIKeyXBUZODAZZHPQDY-UHFFFAOYSA-N
XLogP2.94
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
The IUPAC name of [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol (CID 82212381) is [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol.
What is the SMILES notation for [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
The canonical SMILES for [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol is CC(C)CN(Cc1cccn2ncc(CO)c12)CC(C)C.
What is the InChIKey of [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
The InChIKey is XBUZODAZZHPQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)9-19(10-14(3)4)11-15-6-5-7-20-17(15)16(12-21)8-18-20/h5-8,13-14,21H,9-12H2,1-4H3.
What are the key properties of [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
[4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol has a molecular weight of 289.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol is sourced from PubChem (CID 82212381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).