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

C25H33N5O3S — CID 157390555

IUPAC(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2
InChIInChI=1S/C25H33N5O3S/c1-16(2)33-24-13-23(19-6-5-7-21(19)28-24)30-14-20-22(12-17(30)3)26-15-27-25(20)18-8-10-29(11-9-18)34(4,31)32/h5-6,13,15-18H,7-12,14H2,1-4H3/t17-/m1/s1
InChIKeyJNGPENFABWQVHP-QGZVFWFLSA-N
MW483.64 g/mol
LogP3.32
Rot. Bonds5

About (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-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-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 157390555) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-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-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID157390555
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC Name(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2
InChIInChI=1S/C25H33N5O3S/c1-16(2)33-24-13-23(19-6-5-7-21(19)28-24)30-14-20-22(12-17(30)3)26-15-27-25(20)18-8-10-29(11-9-18)34(4,31)32/h5-6,13,15-18H,7-12,14H2,1-4H3/t17-/m1/s1
InChIKeyJNGPENFABWQVHP-QGZVFWFLSA-N
XLogP3.32
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(R)-2-[1-(5-Cyclopropyl-pyrimidin-2-yl)-piperidin-4-yl]-5-(1-methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2,3-dihydro-furo[2,3-c]pyridine
CID 71208637
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 99
CID 137366258
US10421765, Example 54
CID 137366317
US10421765, Example 93
CID 137366456
US10421765, Example 97
CID 137366493
N-(4-(2-morpholino-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl)phenyl)methanesulfonamide
CID 53325280
8-fluoro-N-[(1S)-1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-8,9-dihydro-7H-purin-6-amine
CID 70829282
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
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

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-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-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 157390555) is (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-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-propan-2-yloxy-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-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)Oc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.
What is the InChIKey of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JNGPENFABWQVHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-16(2)33-24-13-23(19-6-5-7-21(19)28-24)30-14-20-22(12-17(30)3)26-15-27-25(20)18-8-10-29(11-9-18)34(4,31)32/h5-6,13,15-18H,7-12,14H2,1-4H3/t17-/m1/s1.
What are the key properties of (7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-(2-propan-2-yloxy-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-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 483.64 g/mol, XLogP of 3.32, 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-propan-2-yloxy-7H-cyclopenta[b]pyridin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 157390555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).