(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H28F3N5O3S — CID 158113291

IUPAC(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2
InChIInChI=1S/C24H28F3N5O3S/c1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21/h3-4,11,14-16H,5-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyQRHSYXHVTGXCIB-OAHLLOKOSA-N
MW523.58 g/mol
LogP3.47
Rot. Bonds5

About (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 158113291) has the molecular formula C24H28F3N5O3S and a molecular weight of 523.58 g/mol. Its IUPAC name is (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID158113291
Molecular FormulaC24H28F3N5O3S
Molecular Weight523.58 g/mol
Exact Mass523.19
IUPAC Name(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2
InChIInChI=1S/C24H28F3N5O3S/c1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21/h3-4,11,14-16H,5-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyQRHSYXHVTGXCIB-OAHLLOKOSA-N
XLogP3.47
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.58
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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

US10421765, Example 55b
CID 137366554
US10421765, Example 96
CID 137366601
N-(4-(2-morpholino-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 53325280
US10421765, Example 55a
CID 137366442
2-methylsulfonyl-6-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propoxy]-3,4-dihydro-1H-isoquinoline
CID 45274835
5-[6-(1-Methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507875
(R)-5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-[1-(5-trifluoromethyl-pyrimidin-2-yl)-piperidin-4-yl]-2,3-dihydro-furo[2,3-c]pyridine
CID 71208020
5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
CID 71208021
(S)-5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-[1-(5-trifluoromethyl-pyrimidin-2-yl)-piperidin-4-yl]-2,3-dihydro-furo[2,3-c]pyridine
CID 71208547
6-[2-(2,2-difluoroethoxy)-6-fluoropyridin-4-yl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669658
N-[3-[2,3-difluoro-5-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]methanesulfonamide
CID 122669670
6-[3,4-difluoro-5-[2-(1-methylsulfonylazetidin-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669859

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 158113291) is (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C[C@@H]1Cc2ncnc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(OCC(F)(F)F)nc2c1C=CC2.
What is the InChIKey of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QRHSYXHVTGXCIB-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28F3N5O3S/c1-15-10-20-18(23(29-14-28-20)16-6-8-31(9-7-16)36(2,33)34)12-32(15)21-11-22(35-13-24(25,26)27)30-19-5-3-4-17(19)21/h3-4,11,14-16H,5-10,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 523.58 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 158113291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).