[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol

C23H30N4O — CID 56702001

IUPAC[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)CC1(CO)CCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1
InChIInChI=1S/C23H30N4O/c1-18(2)11-23(17-28)9-6-10-26(16-23)14-19-12-24-22-21(13-25-27(22)15-19)20-7-4-3-5-8-20/h3-5,7-8,12-13,15,18,28H,6,9-11,14,16-17H2,1-2H3
InChIKeyPFOOSCOTRUWMSK-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.02
Rot. Bonds6

About [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol

[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol (PubChem CID 56702001) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol
PubChem CID56702001
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)CC1(CO)CCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1
InChIInChI=1S/C23H30N4O/c1-18(2)11-23(17-28)9-6-10-26(16-23)14-19-12-24-22-21(13-25-27(22)15-19)20-7-4-3-5-8-20/h3-5,7-8,12-13,15,18,28H,6,9-11,14,16-17H2,1-2H3
InChIKeyPFOOSCOTRUWMSK-UHFFFAOYSA-N
XLogP4.02
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol (CID 56702001) is [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol is CC(C)CC1(CO)CCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1.
What is the InChIKey of [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is PFOOSCOTRUWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18(2)11-23(17-28)9-6-10-26(16-23)14-19-12-24-22-21(13-25-27(22)15-19)20-7-4-3-5-8-20/h3-5,7-8,12-13,15,18,28H,6,9-11,14,16-17H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol?
[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 378.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56702001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).