cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone

C26H26N6O2 — CID 87055775

IUPACcyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C26H26N6O2/c33-26(19-1-2-19)32-11-9-31(10-12-32)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-8-29-30-23/h3-8,13-16,19H,1-2,9-12,17H2,(H,29,30)
InChIKeyDIRGZKJGPPSACG-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.87
Rot. Bonds6

About cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 87055775) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID87055775
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Namecyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C26H26N6O2/c33-26(19-1-2-19)32-11-9-31(10-12-32)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-8-29-30-23/h3-8,13-16,19H,1-2,9-12,17H2,(H,29,30)
InChIKeyDIRGZKJGPPSACG-UHFFFAOYSA-N
XLogP3.87
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone (CID 87055775) is cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1.
What is the InChIKey of cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is DIRGZKJGPPSACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c33-26(19-1-2-19)32-11-9-31(10-12-32)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-8-29-30-23/h3-8,13-16,19H,1-2,9-12,17H2,(H,29,30).
What are the key properties of cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 87055775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).