cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H19F3N4O2 — CID 56874784

IUPACcyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(C1CC1)N1CCc2c(ncnc2NCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-14-5-1-12(2-6-14)9-23-17-15-7-8-26(18(27)13-3-4-13)10-16(15)24-11-25-17/h1-2,5-6,11,13H,3-4,7-10H2,(H,23,24,25)
InChIKeyNGEVADDDEKLGGD-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.28
Rot. Bonds5

About cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56874784) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56874784
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Namecyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(C1CC1)N1CCc2c(ncnc2NCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-14-5-1-12(2-6-14)9-23-17-15-7-8-26(18(27)13-3-4-13)10-16(15)24-11-25-17/h1-2,5-6,11,13H,3-4,7-10H2,(H,23,24,25)
InChIKeyNGEVADDDEKLGGD-UHFFFAOYSA-N
XLogP3.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(2-morpholin-4-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56876629
cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56878120
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 69271185
[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
CID 56865157
N-[7-[4-(trifluoromethoxy)phenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663471
[4-[[2-(1-adamantyl)-2-hydroxyethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 59160096
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718
1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
CID 126769157
1-[1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 75452424
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90600518
N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 163201620
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56874784) is cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is O=C(C1CC1)N1CCc2c(ncnc2NCc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is NGEVADDDEKLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)28-14-5-1-12(2-6-14)9-23-17-15-7-8-26(18(27)13-3-4-13)10-16(15)24-11-25-17/h1-2,5-6,11,13H,3-4,7-10H2,(H,23,24,25).
What are the key properties of cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 392.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[4-(trifluoromethoxy)phenyl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56874784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).