N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H24F3N5O4S — CID 90456440

IUPACN-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CS(O)(O)C2
InChIInChI=1S/C24H24F3N5O4S/c1-14-18(10-17(11-28-14)29-23(33)15-3-2-4-16(9-15)24(25,26)27)21-30-20-13-37(34,35)12-19(20)22(31-21)32-5-7-36-8-6-32/h2-4,9-11,34-35H,5-8,12-13H2,1H3,(H,29,33)
InChIKeyDNPCZVDFKKHIFU-UHFFFAOYSA-N
MW535.55 g/mol
LogP4.72
Rot. Bonds4

About N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456440) has the molecular formula C24H24F3N5O4S and a molecular weight of 535.55 g/mol. Its IUPAC name is N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456440
Molecular FormulaC24H24F3N5O4S
Molecular Weight535.55 g/mol
Exact Mass535.15
IUPAC NameN-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CS(O)(O)C2
InChIInChI=1S/C24H24F3N5O4S/c1-14-18(10-17(11-28-14)29-23(33)15-3-2-4-16(9-15)24(25,26)27)21-30-20-13-37(34,35)12-19(20)22(31-21)32-5-7-36-8-6-32/h2-4,9-11,34-35H,5-8,12-13H2,1H3,(H,29,33)
InChIKeyDNPCZVDFKKHIFU-UHFFFAOYSA-N
XLogP4.72
TPSA120.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.55
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide 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-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456440) is N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CS(O)(O)C2.
What is the InChIKey of N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DNPCZVDFKKHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4S/c1-14-18(10-17(11-28-14)29-23(33)15-3-2-4-16(9-15)24(25,26)27)21-30-20-13-37(34,35)12-19(20)22(31-21)32-5-7-36-8-6-32/h2-4,9-11,34-35H,5-8,12-13H2,1H3,(H,29,33).
What are the key properties of N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 535.55 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,6-dihydroxy-4-morpholin-4-yl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).