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

C24H30FN5O3S — CID 158328313

IUPAC6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)CC2CF)c2c(n1)CC=C2
InChIInChI=1S/C24H30FN5O3S/c1-3-33-23-12-22(18-5-4-6-20(18)28-23)30-14-19-21(11-17(30)13-25)26-15-27-24(19)16-7-9-29(10-8-16)34(2,31)32/h4-5,12,15-17H,3,6-11,13-14H2,1-2H3
InChIKeyYJBSXGXHYIWIGI-UHFFFAOYSA-N
MW487.60 g/mol
LogP2.88
Rot. Bonds6

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

6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 158328313) has the molecular formula C24H30FN5O3S and a molecular weight of 487.60 g/mol. Its IUPAC name is 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID158328313
Molecular FormulaC24H30FN5O3S
Molecular Weight487.60 g/mol
Exact Mass487.21
IUPAC Name6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)CC2CF)c2c(n1)CC=C2
InChIInChI=1S/C24H30FN5O3S/c1-3-33-23-12-22(18-5-4-6-20(18)28-23)30-14-19-21(11-17(30)13-25)26-15-27-24(19)16-7-9-29(10-8-16)34(2,31)32/h4-5,12,15-17H,3,6-11,13-14H2,1-2H3
InChIKeyYJBSXGXHYIWIGI-UHFFFAOYSA-N
XLogP2.88
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71455832
US10421765, Example 55b
CID 137366554
US10421765, Example 96
CID 137366601
US10421765, Example 54
CID 137366317
N-(4-(2-morpholino-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 53325280
US10421765, Example 55a
CID 137366442
1-[6-(Ethanesulfonyl)-4-(4-fluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL]-4-methylpiperidine
CID 46160229
2-methylsulfonyl-6-[3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propoxy]-3,4-dihydro-1H-isoquinoline
CID 45274835
8-fluoro-N-[(1S)-1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-8,9-dihydro-7H-purin-6-amine
CID 70829282
(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

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 158328313) is 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)CC2CF)c2c(n1)CC=C2.
What is the InChIKey of 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YJBSXGXHYIWIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3S/c1-3-33-23-12-22(18-5-4-6-20(18)28-23)30-14-19-21(11-17(30)13-25)26-15-27-24(19)16-7-9-29(10-8-16)34(2,31)32/h4-5,12,15-17H,3,6-11,13-14H2,1-2H3.
What are the key properties of 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 487.60 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 158328313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).