[1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol

C18H21N5O — CID 137417611

IUPAC[1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol
SMILESNc1cc(N2CCCC(CO)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5O/c19-18-9-17(23-7-1-2-12(10-23)11-24)14-4-3-13(8-16(14)21-18)15-5-6-20-22-15/h3-6,8-9,12,24H,1-2,7,10-11H2,(H2,19,21)(H,20,22)
InChIKeyMCNZZCMVBUMMAA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds3

About [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol

[1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol (PubChem CID 137417611) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol
PubChem CID137417611
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol
SMILESNc1cc(N2CCCC(CO)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5O/c19-18-9-17(23-7-1-2-12(10-23)11-24)14-4-3-13(8-16(14)21-18)15-5-6-20-22-15/h3-6,8-9,12,24H,1-2,7,10-11H2,(H2,19,21)(H,20,22)
InChIKeyMCNZZCMVBUMMAA-UHFFFAOYSA-N
XLogP2.42
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol (CID 137417611) is [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol is Nc1cc(N2CCCC(CO)C2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol?
The InChIKey is MCNZZCMVBUMMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-18-9-17(23-7-1-2-12(10-23)11-24)14-4-3-13(8-16(14)21-18)15-5-6-20-22-15/h3-6,8-9,12,24H,1-2,7,10-11H2,(H2,19,21)(H,20,22).
What are the key properties of [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol?
[1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol has a molecular weight of 323.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 137417611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).