2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine

C24H24F3N7O — CID 143709678

IUPAC2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine
SMILESCC(Nc1ncc(N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H24F3N7O/c1-14(15-2-4-17(5-3-15)34-6-8-35-9-7-34)32-23-31-13-20(28)21(33-23)19-12-30-22-18(19)10-16(11-29-22)24(25,26)27/h2-5,10-14H,6-9,28H2,1H3,(H,29,30)(H,31,32,33)
InChIKeySAAFXAHPQOYBON-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.63
Rot. Bonds5

About 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine

2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine (PubChem CID 143709678) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine
PubChem CID143709678
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC Name2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine
SMILESCC(Nc1ncc(N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H24F3N7O/c1-14(15-2-4-17(5-3-15)34-6-8-35-9-7-34)32-23-31-13-20(28)21(33-23)19-12-30-22-18(19)10-16(11-29-22)24(25,26)27/h2-5,10-14H,6-9,28H2,1H3,(H,29,30)(H,31,32,33)
InChIKeySAAFXAHPQOYBON-UHFFFAOYSA-N
XLogP4.63
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

PF-4708671
CID 51371303
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
(2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 9863786
Bay-41-8543
CID 9953906
N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126537450
Flt3-IN-3
CID 133081975
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
BMS-181101 free base
CID 177836
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine (CID 143709678) is 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine is CC(Nc1ncc(N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine?
The InChIKey is SAAFXAHPQOYBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-14(15-2-4-17(5-3-15)34-6-8-35-9-7-34)32-23-31-13-20(28)21(33-23)19-12-30-22-18(19)10-16(11-29-22)24(25,26)27/h2-5,10-14H,6-9,28H2,1H3,(H,29,30)(H,31,32,33).
What are the key properties of 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine?
2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine has a molecular weight of 483.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-morpholin-4-ylphenyl)ethyl]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,5-diamine is sourced from PubChem (CID 143709678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).