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

C19H19F3N6O — CID 52933853

IUPAC2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESNC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1
InChIInChI=1S/C19H19F3N6O/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)
InChIKeyLMVMRGLGWNNBEF-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.01
Rot. Bonds3

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

2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 52933853) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID52933853
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESNC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)c3c(=O)[nH]ccc3n2)CC1
InChIInChI=1S/C19H19F3N6O/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)
InChIKeyLMVMRGLGWNNBEF-UHFFFAOYSA-N
XLogP3.01
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopiperidin-1-yl)-4-[3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
CID 87224410
2-[(3R)-3-aminopyrrolidin-1-yl]-8-bromo-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 52935007
2-(4-acetylpiperidin-1-yl)-4-[4-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494299
4-[4-chloro-3-(trifluoromethoxy)anilino]-2-(4-hydroxypiperidin-1-yl)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 52934774
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
2-(pyrrolidin-3-ylamino)-4-[4-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494322
4-[3-methyl-5-(trifluoromethyl)anilino]-2-[[(3S)-pyrrolidin-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
CID 159881008
1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11619693
1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 155667013
4-[2-[(4-aminocyclohexyl)amino]-3,5-bis(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 140570290
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091903
N-[3-[[5-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]pyrrolidine-1-carboxamide
CID 44818365

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?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 52933853) is 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one is 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?
The InChIKey is LMVMRGLGWNNBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/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).
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(4-aminopiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 404.40 g/mol, XLogP of 3.01, 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 is sourced from PubChem (CID 52933853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).