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

C20H19ClF6N6O — CID 87224410

IUPAC2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
SMILESCl.NC1CCN(c2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1
InChIInChI=1S/C20H18F6N6O.ClH/c21-19(22,23)10-7-11(20(24,25)26)9-13(8-10)29-16-15-14(1-4-28-17(15)33)30-18(31-16)32-5-2-12(27)3-6-32;/h1,4,7-9,12H,2-3,5-6,27H2,(H,28,33)(H,29,30,31);1H
InChIKeyXODWAOQPSCMAOU-UHFFFAOYSA-N
MW508.85 g/mol
LogP4.45
Rot. Bonds3

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

2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride (PubChem CID 87224410) has the molecular formula C20H19ClF6N6O and a molecular weight of 508.85 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
PubChem CID87224410
Molecular FormulaC20H19ClF6N6O
Molecular Weight508.85 g/mol
Exact Mass508.12
IUPAC Name2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
SMILESCl.NC1CCN(c2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1
InChIInChI=1S/C20H18F6N6O.ClH/c21-19(22,23)10-7-11(20(24,25)26)9-13(8-10)29-16-15-14(1-4-28-17(15)33)30-18(31-16)32-5-2-12(27)3-6-32;/h1,4,7-9,12H,2-3,5-6,27H2,(H,28,33)(H,29,30,31);1H
InChIKeyXODWAOQPSCMAOU-UHFFFAOYSA-N
XLogP4.45
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.85
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride (CID 87224410) is 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride is Cl.NC1CCN(c2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The InChIKey is XODWAOQPSCMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N6O.ClH/c21-19(22,23)10-7-11(20(24,25)26)9-13(8-10)29-16-15-14(1-4-28-17(15)33)30-18(31-16)32-5-2-12(27)3-6-32;/h1,4,7-9,12H,2-3,5-6,27H2,(H,28,33)(H,29,30,31);1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride?
2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride has a molecular weight of 508.85 g/mol, XLogP of 4.45, 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-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 87224410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).