piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone

C20H17F3N6O — CID 155151599

IUPACpiperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12)N1CCCCC1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)18-13(10-25-28-18)16-8-11(19(30)29-6-2-1-3-7-29)17-12-9-24-27-14(12)4-5-15(17)26-16/h4-5,8-10H,1-3,6-7H2,(H,24,27)(H,25,28)
InChIKeyZLFGNBSFPDASKY-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.15
Rot. Bonds2

About piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone

piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone (PubChem CID 155151599) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone
PubChem CID155151599
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Namepiperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12)N1CCCCC1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)18-13(10-25-28-18)16-8-11(19(30)29-6-2-1-3-7-29)17-12-9-24-27-14(12)4-5-15(17)26-16/h4-5,8-10H,1-3,6-7H2,(H,24,27)(H,25,28)
InChIKeyZLFGNBSFPDASKY-UHFFFAOYSA-N
XLogP4.15
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone?
The IUPAC name of piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone (CID 155151599) is piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone?
The canonical SMILES for piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone is O=C(c1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone?
The InChIKey is ZLFGNBSFPDASKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c21-20(22,23)18-13(10-25-28-18)16-8-11(19(30)29-6-2-1-3-7-29)17-12-9-24-27-14(12)4-5-15(17)26-16/h4-5,8-10H,1-3,6-7H2,(H,24,27)(H,25,28).
What are the key properties of piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone?
piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone has a molecular weight of 414.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]methanone is sourced from PubChem (CID 155151599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).