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

C86H104N20O8S4 — CID 157093419

IUPAC(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(N3CCC[C@@H](S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(N3CCC[C@H](S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@@H]3CCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@H]3CCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2
InChIInChI=1S/2C22H27N5O2S.2C21H25N5O2S/c2*1-15-11-20-18(13-27(15)21-8-9-23-19-7-3-6-17(19)21)22(25-14-24-20)26-10-4-5-16(12-26)30(2,28)29;2*1-14-10-19-17(12-26(14)20-6-8-22-18-5-3-4-16(18)20)21(24-13-23-19)15-7-9-25(11-15)29(2,27)28/h2*3,6,8-9,14-16H,4-5,7,10-13H2,1-2H3;2*3-4,6,8,13-15H,5,7,9-12H2,1-2H3/t15-,16+;15-,16-;14-,15+;14-,15-/m1111/s1
InChIKeyAEXUZQFORPJQSK-WLHKCFAFSA-N
MW1674.18 g/mol
LogP9.09
Rot. Bonds12

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

(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 157093419) has the molecular formula C86H104N20O8S4 and a molecular weight of 1674.18 g/mol. Its IUPAC name is (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID157093419
Molecular FormulaC86H104N20O8S4
Molecular Weight1674.18 g/mol
Exact Mass1672.72
IUPAC Name(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC[C@@H]1Cc2ncnc(N3CCC[C@@H](S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(N3CCC[C@H](S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@@H]3CCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@H]3CCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2
InChIInChI=1S/2C22H27N5O2S.2C21H25N5O2S/c2*1-15-11-20-18(13-27(15)21-8-9-23-19-7-3-6-17(19)21)22(25-14-24-20)26-10-4-5-16(12-26)30(2,28)29;2*1-14-10-19-17(12-26(14)20-6-8-22-18-5-3-4-16(18)20)21(24-13-23-19)15-7-9-25(11-15)29(2,27)28/h2*3,6,8-9,14-16H,4-5,7,10-13H2,1-2H3;2*3-4,6,8,13-15H,5,7,9-12H2,1-2H3/t15-,16+;15-,16-;14-,15+;14-,15-/m1111/s1
InChIKeyAEXUZQFORPJQSK-WLHKCFAFSA-N
XLogP9.09
TPSA317.16 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.18
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 157093419) is (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C[C@@H]1Cc2ncnc(N3CCC[C@@H](S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc(N3CCC[C@H](S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@@H]3CCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.C[C@@H]1Cc2ncnc([C@H]3CCN(S(C)(=O)=O)C3)c2CN1c1ccnc2c1C=CC2.
What is the InChIKey of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AEXUZQFORPJQSK-WLHKCFAFSA-N. The full InChI is InChI=1S/2C22H27N5O2S.2C21H25N5O2S/c2*1-15-11-20-18(13-27(15)21-8-9-23-19-7-3-6-17(19)21)22(25-14-24-20)26-10-4-5-16(12-26)30(2,28)29;2*1-14-10-19-17(12-26(14)20-6-8-22-18-5-3-4-16(18)20)21(24-13-23-19)15-7-9-25(11-15)29(2,27)28/h2*3,6,8-9,14-16H,4-5,7,10-13H2,1-2H3;2*3-4,6,8,13-15H,5,7,9-12H2,1-2H3/t15-,16+;15-,16-;14-,15+;14-,15-/m1111/s1.
What are the key properties of (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 1674.18 g/mol, XLogP of 9.09, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-3-methylsulfonylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 157093419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).