N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C29H34F3N7O — CID 11489763

IUPACN-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CN(CCN2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21
InChIInChI=1S/C29H34F3N7O/c1-28(2)18-39(11-10-37-12-14-40-15-13-37)25-16-20(5-6-22(25)28)36-26-21-7-9-38(17-24(21)34-19-35-26)27-23(29(30,31)32)4-3-8-33-27/h3-6,8,16,19H,7,9-15,17-18H2,1-2H3,(H,34,35,36)
InChIKeyVLDBVGLVMIZGRI-UHFFFAOYSA-N
MW553.63 g/mol
LogP4.63
Rot. Bonds6

About N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11489763) has the molecular formula C29H34F3N7O and a molecular weight of 553.63 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11489763
Molecular FormulaC29H34F3N7O
Molecular Weight553.63 g/mol
Exact Mass553.28
IUPAC NameN-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CN(CCN2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21
InChIInChI=1S/C29H34F3N7O/c1-28(2)18-39(11-10-37-12-14-40-15-13-37)25-16-20(5-6-22(25)28)36-26-21-7-9-38(17-24(21)34-19-35-26)27-23(29(30,31)32)4-3-8-33-27/h3-6,8,16,19H,7,9-15,17-18H2,1-2H3,(H,34,35,36)
InChIKeyVLDBVGLVMIZGRI-UHFFFAOYSA-N
XLogP4.63
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;ethane
CID 143323519
2-[(2-methoxyethylamino)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 11455715
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
2-(2-methyloxolan-3-yl)sulfanyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972748
2-[7-[[7-(3-hydroxy-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide
CID 143077994
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 59021481
2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972615
2-tert-butyl-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972728
2-[5-[[4,4-dimethyl-2-(3-piperidin-1-ylpropyl)-1,3-dihydroisoquinolin-7-yl]amino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]pyridine-3-thiol
CID 71072188
7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 12004344
2-methyl-2-[4-[[2-morpholin-4-yl-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]amino]phenyl]butanamide
CID 69014872
N-[4-tert-butyl-3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030443

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11489763) is N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC1(C)CN(CCN2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.
What is the InChIKey of N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VLDBVGLVMIZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N7O/c1-28(2)18-39(11-10-37-12-14-40-15-13-37)25-16-20(5-6-22(25)28)36-26-21-7-9-38(17-24(21)34-19-35-26)27-23(29(30,31)32)4-3-8-33-27/h3-6,8,16,19H,7,9-15,17-18H2,1-2H3,(H,34,35,36).
What are the key properties of N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 553.63 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11489763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).