2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C32H40F3N7 — CID 143323485

IUPAC2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1CC1CCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C32H40F3N7/c1-20-16-21(20)9-13-36-18-28-39-26-19-42(30-25(32(33,34)35)6-5-12-37-30)14-10-23(26)29(40-28)38-22-7-8-24-27(17-22)41(4)15-11-31(24,2)3/h5-8,12,17,20-21,36H,9-11,13-16,18-19H2,1-4H3,(H,38,39,40)
InChIKeyWPVQXLIYNROKGE-UHFFFAOYSA-N
MW579.72 g/mol
LogP6.45
Rot. Bonds8

About 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 143323485) has the molecular formula C32H40F3N7 and a molecular weight of 579.72 g/mol. Its IUPAC name is 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID143323485
Molecular FormulaC32H40F3N7
Molecular Weight579.72 g/mol
Exact Mass579.33
IUPAC Name2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1CC1CCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C32H40F3N7/c1-20-16-21(20)9-13-36-18-28-39-26-19-42(30-25(32(33,34)35)6-5-12-37-30)14-10-23(26)29(40-28)38-22-7-8-24-27(17-22)41(4)15-11-31(24,2)3/h5-8,12,17,20-21,36H,9-11,13-16,18-19H2,1-4H3,(H,38,39,40)
InChIKeyWPVQXLIYNROKGE-UHFFFAOYSA-N
XLogP6.45
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.72
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 143323485) is 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC1CC1CCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2.
What is the InChIKey of 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WPVQXLIYNROKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F3N7/c1-20-16-21(20)9-13-36-18-28-39-26-19-42(30-25(32(33,34)35)6-5-12-37-30)14-10-23(26)29(40-28)38-22-7-8-24-27(17-22)41(4)15-11-31(24,2)3/h5-8,12,17,20-21,36H,9-11,13-16,18-19H2,1-4H3,(H,38,39,40).
What are the key properties of 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 579.72 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylcyclopropyl)ethylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 143323485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).