2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride

C19H20ClF3N6O — CID 52933852

IUPAC2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
SMILESCl.NC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1
InChIInChI=1S/C19H19F3N6O.ClH/c20-19(21,22)11-2-1-3-13(10-11)25-16-15-14(4-7-24-17(15)29)26-18(27-16)28-8-5-12(23)6-9-28;/h1-4,7,10,12H,5-6,8-9,23H2,(H,24,29)(H,25,26,27);1H
InChIKeyGEOYUPAKWBFMCY-UHFFFAOYSA-N
MW440.86 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride

2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride (PubChem CID 52933852) has the molecular formula C19H20ClF3N6O and a molecular weight of 440.86 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
PubChem CID52933852
Molecular FormulaC19H20ClF3N6O
Molecular Weight440.86 g/mol
Exact Mass440.13
IUPAC Name2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
SMILESCl.NC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1
InChIInChI=1S/C19H19F3N6O.ClH/c20-19(21,22)11-2-1-3-13(10-11)25-16-15-14(4-7-24-17(15)29)26-18(27-16)28-8-5-12(23)6-9-28;/h1-4,7,10,12H,5-6,8-9,23H2,(H,24,29)(H,25,26,27);1H
InChIKeyGEOYUPAKWBFMCY-UHFFFAOYSA-N
XLogP3.43
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.86
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride (CID 52933852) is 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride is Cl.NC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The InChIKey is GEOYUPAKWBFMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O.ClH/c20-19(21,22)11-2-1-3-13(10-11)25-16-15-14(4-7-24-17(15)29)26-18(27-16)28-8-5-12(23)6-9-28;/h1-4,7,10,12H,5-6,8-9,23H2,(H,24,29)(H,25,26,27);1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride has a molecular weight of 440.86 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 52933852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).