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[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol

C27H25N5O — CID 118894226

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol
SMILESOCc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C27H25N5O/c33-18-19-4-9-24-23(10-11-28-26(24)14-19)25-16-30-32-17-21(15-29-27(25)32)20-5-7-22(8-6-20)31-12-2-1-3-13-31/h4-11,14-17,33H,1-3,12-13,18H2
InChIKeyNNSAXSTVOVAWLC-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.09
Rot. Bonds4

About [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol

[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol (PubChem CID 118894226) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol.

Molecular Properties

Compound Name[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol
PubChem CID118894226
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol
SMILESOCc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C27H25N5O/c33-18-19-4-9-24-23(10-11-28-26(24)14-19)25-16-30-32-17-21(15-29-27(25)32)20-5-7-22(8-6-20)31-12-2-1-3-13-31/h4-11,14-17,33H,1-3,12-13,18H2
InChIKeyNNSAXSTVOVAWLC-UHFFFAOYSA-N
XLogP5.09
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol?
The IUPAC name of [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol (CID 118894226) is [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol.
What is the SMILES notation for [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol?
The canonical SMILES for [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol is OCc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol?
The InChIKey is NNSAXSTVOVAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c33-18-19-4-9-24-23(10-11-28-26(24)14-19)25-16-30-32-17-21(15-29-27(25)32)20-5-7-22(8-6-20)31-12-2-1-3-13-31/h4-11,14-17,33H,1-3,12-13,18H2.
What are the key properties of [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol?
[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol has a molecular weight of 435.53 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol is sourced from PubChem (CID 118894226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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