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

C24H31N5O3S — CID 158328312

IUPAC(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2
InChIInChI=1S/C24H31N5O3S/c1-4-32-23-13-22(18-6-5-7-20(18)27-23)29-14-19-21(12-16(29)2)25-15-26-24(19)17-8-10-28(11-9-17)33(3,30)31/h5-6,13,15-17H,4,7-12,14H2,1-3H3/t16-/m1/s1
InChIKeyALEDABVPBNNDIF-MRXNPFEDSA-N
MW469.61 g/mol
LogP2.93
Rot. Bonds5

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

(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 158328312) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID158328312
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2
InChIInChI=1S/C24H31N5O3S/c1-4-32-23-13-22(18-6-5-7-20(18)27-23)29-14-19-21(12-16(29)2)25-15-26-24(19)17-8-10-28(11-9-17)33(3,30)31/h5-6,13,15-17H,4,7-12,14H2,1-3H3/t16-/m1/s1
InChIKeyALEDABVPBNNDIF-MRXNPFEDSA-N
XLogP2.93
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-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
6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 155527103
US10421765, Example 55b
CID 137366554
US10421765, Example 54
CID 137366317
US10421765, Example 93
CID 137366456
N-(4-(2-morpholino-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 53325280
US10421765, Example 55a
CID 137366442
6-[3,4-difluoro-5-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669898
6-(6-ethoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 137366443
5-[2-(Difluoromethyl)-6-methylpyridin-4-yl]-4-(4-fluorophenyl)-6-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyrimidin-2-amine
CID 156361170
(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-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
CID 158113288
4-butan-2-yl-8-fluoro-6-[5-fluoro-2-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methyl]pyrimidin-4-yl]-2,3-dihydro-1,4-benzoxazine
CID 159349818

Frequently Asked Questions

What is the IUPAC name of (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 158328312) is (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.
What is the InChIKey of (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ALEDABVPBNNDIF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-4-32-23-13-22(18-6-5-7-20(18)27-23)29-14-19-21(12-16(29)2)25-15-26-24(19)17-8-10-28(11-9-17)33(3,30)31/h5-6,13,15-17H,4,7-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 469.61 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 158328312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).