2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide

C24H20F3N5OS — CID 148688797

IUPAC2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide
SMILESCc1c(C(=O)NC2CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)ccc2c1C=C(C#N)C2
InChIInChI=1S/C24H20F3N5OS/c1-13-18(3-2-15-6-14(10-28)7-19(13)15)22(33)31-16-4-5-32(11-16)21-20-8-17(9-24(25,26)27)34-23(20)30-12-29-21/h2-3,7-8,12,16H,4-6,9,11H2,1H3,(H,31,33)
InChIKeyNTAUAZHXZRMRCA-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.58
Rot. Bonds4

About 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide

2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide (PubChem CID 148688797) has the molecular formula C24H20F3N5OS and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide.

Molecular Properties

Compound Name2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide
PubChem CID148688797
Molecular FormulaC24H20F3N5OS
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC Name2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide
SMILESCc1c(C(=O)NC2CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)ccc2c1C=C(C#N)C2
InChIInChI=1S/C24H20F3N5OS/c1-13-18(3-2-15-6-14(10-28)7-19(13)15)22(33)31-16-4-5-32(11-16)21-20-8-17(9-24(25,26)27)34-23(20)30-12-29-21/h2-3,7-8,12,16H,4-6,9,11H2,1H3,(H,31,33)
InChIKeyNTAUAZHXZRMRCA-UHFFFAOYSA-N
XLogP4.58
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide 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

4-methyl-5-[[2-(4-oxohex-5-enyl)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indene-2-carbonitrile
CID 158344002
4-bromo-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indene-2-carbonitrile
CID 161090813
N-methyl-4-[[[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]azepan-4-yl]amino]methyl]benzamide
CID 135136048
4-[(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 158489153
(4R)-N-(2-methylpropyl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]azepan-4-amine;(4S)-N-(2-methylpropyl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]azepan-4-amine
CID 160673489
4-methyl-5-[[4-[[2-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indene-2-carbonitrile
CID 157141317
N,3-dimethyl-2-[[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]azepan-4-yl]amino]butanamide
CID 142375224
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432414
N-[4-[2-[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]ethynyl]cyclohexyl]acetamide
CID 163716285
2-fluoro-N-methyl-4-[[6-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-yl]amino]benzamide
CID 164823889
N-(3-aminopropyl)-6-[[6-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxamide
CID 167343640
4-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364840

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide?
The IUPAC name of 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide (CID 148688797) is 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide.
What is the SMILES notation for 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide?
The canonical SMILES for 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide is Cc1c(C(=O)NC2CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)ccc2c1C=C(C#N)C2.
What is the InChIKey of 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide?
The InChIKey is NTAUAZHXZRMRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5OS/c1-13-18(3-2-15-6-14(10-28)7-19(13)15)22(33)31-16-4-5-32(11-16)21-20-8-17(9-24(25,26)27)34-23(20)30-12-29-21/h2-3,7-8,12,16H,4-6,9,11H2,1H3,(H,31,33).
What are the key properties of 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide?
2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-methyl-N-[1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-indene-5-carboxamide is sourced from PubChem (CID 148688797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).