1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone

C26H28N6O2 — CID 72948411

IUPAC1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C26H28N6O2/c1-18(33)32-13-10-22(11-14-32)31(2)17-21-5-3-19-15-23(6-7-24(19)29-21)34-26-8-4-20(16-27-26)25-9-12-28-30-25/h3-9,12,15-16,22H,10-11,13-14,17H2,1-2H3,(H,28,30)
InChIKeyFZRYDQHVHVDWIT-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.25
Rot. Bonds6

About 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone

1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone (PubChem CID 72948411) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone
PubChem CID72948411
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C26H28N6O2/c1-18(33)32-13-10-22(11-14-32)31(2)17-21-5-3-19-15-23(6-7-24(19)29-21)34-26-8-4-20(16-27-26)25-9-12-28-30-25/h3-9,12,15-16,22H,10-11,13-14,17H2,1-2H3,(H,28,30)
InChIKeyFZRYDQHVHVDWIT-UHFFFAOYSA-N
XLogP4.25
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone (CID 72948411) is 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N(C)Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.
What is the InChIKey of 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone?
The InChIKey is FZRYDQHVHVDWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-18(33)32-13-10-22(11-14-32)31(2)17-21-5-3-19-15-23(6-7-24(19)29-21)34-26-8-4-20(16-27-26)25-9-12-28-30-25/h3-9,12,15-16,22H,10-11,13-14,17H2,1-2H3,(H,28,30).
What are the key properties of 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone?
1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone has a molecular weight of 456.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 72948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).