N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine

C30H27F3N6O3S — CID 68707826

IUPACN-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(-c3cc(N4CCOCC4)nc(CCNc4ccc(C(F)(F)F)cn4)n3)cccc21
InChIInChI=1S/C30H27F3N6O3S/c31-30(32,33)21-9-10-27(35-20-21)34-13-11-28-36-25(19-29(37-28)38-15-17-42-18-16-38)23-7-4-8-26-24(23)12-14-39(26)43(40,41)22-5-2-1-3-6-22/h1-10,12,14,19-20H,11,13,15-18H2,(H,34,35)
InChIKeyWAPODKHSNLMMNB-UHFFFAOYSA-N
MW608.65 g/mol
LogP5.24
Rot. Bonds8

About N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 68707826) has the molecular formula C30H27F3N6O3S and a molecular weight of 608.65 g/mol. Its IUPAC name is N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID68707826
Molecular FormulaC30H27F3N6O3S
Molecular Weight608.65 g/mol
Exact Mass608.18
IUPAC NameN-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(-c3cc(N4CCOCC4)nc(CCNc4ccc(C(F)(F)F)cn4)n3)cccc21
InChIInChI=1S/C30H27F3N6O3S/c31-30(32,33)21-9-10-27(35-20-21)34-13-11-28-36-25(19-29(37-28)38-15-17-42-18-16-38)23-7-4-8-26-24(23)12-14-39(26)43(40,41)22-5-2-1-3-6-22/h1-10,12,14,19-20H,11,13,15-18H2,(H,34,35)
InChIKeyWAPODKHSNLMMNB-UHFFFAOYSA-N
XLogP5.24
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.65
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 68707826) is N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine is O=S(=O)(c1ccccc1)n1ccc2c(-c3cc(N4CCOCC4)nc(CCNc4ccc(C(F)(F)F)cn4)n3)cccc21.
What is the InChIKey of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WAPODKHSNLMMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O3S/c31-30(32,33)21-9-10-27(35-20-21)34-13-11-28-36-25(19-29(37-28)38-15-17-42-18-16-38)23-7-4-8-26-24(23)12-14-39(26)43(40,41)22-5-2-1-3-6-22/h1-10,12,14,19-20H,11,13,15-18H2,(H,34,35).
What are the key properties of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 608.65 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 68707826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).