1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C94H112N20O8 — CID 159086949

IUPAC1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CCC[C@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CC[C@@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CC[C@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1
InChIInChI=1S/2C24H29N5O2.2C23H27N5O2/c2*1-16-15-31-12-11-29(16)23-13-22(18-5-4-10-28(14-18)17(2)30)26-24(27-23)20-8-9-25-21-7-3-6-19(20)21;2*1-15-14-30-11-10-28(15)22-12-21(17-7-9-27(13-17)16(2)29)25-23(26-22)19-6-8-24-20-5-3-4-18(19)20/h2*3,6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-2H3;2*3-4,6,8,12,15,17H,5,7,9-11,13-14H2,1-2H3/t16-,18+;16-,18-;15-,17+;15-,17-/m1111/s1
InChIKeyKBOBQXYWRZBJBX-CSIFDNTISA-N
MW1650.06 g/mol
LogP11.46
Rot. Bonds12

About 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 159086949) has the molecular formula C94H112N20O8 and a molecular weight of 1650.06 g/mol. Its IUPAC name is 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID159086949
Molecular FormulaC94H112N20O8
Molecular Weight1650.06 g/mol
Exact Mass1648.90
IUPAC Name1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CCC[C@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CC[C@@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CC[C@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1
InChIInChI=1S/2C24H29N5O2.2C23H27N5O2/c2*1-16-15-31-12-11-29(16)23-13-22(18-5-4-10-28(14-18)17(2)30)26-24(27-23)20-8-9-25-21-7-3-6-19(20)21;2*1-15-14-30-11-10-28(15)22-12-21(17-7-9-27(13-17)16(2)29)25-23(26-22)19-6-8-24-20-5-3-4-18(19)20/h2*3,6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-2H3;2*3-4,6,8,12,15,17H,5,7,9-11,13-14H2,1-2H3/t16-,18+;16-,18-;15-,17+;15-,17-/m1111/s1
InChIKeyKBOBQXYWRZBJBX-CSIFDNTISA-N
XLogP11.46
TPSA285.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001650.06
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone 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

4-[[1-(6-Pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
CID 132510851
4-[1-(6-Pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine
CID 155562076
4-[1-(6-Pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride
CID 155563837
1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25000735
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
CID 59703457
4-[1-[2-(3-Methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
CID 155557481
4-[1-[2-(2,6-Dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
CID 155562854
4-[5-[6-(4-Morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine
CID 155563414
US10800774, Example 12
CID 137498316
US10800774, Example 20
CID 137498320
US10800774, Example 18
CID 137498330
US10800774, Example 16
CID 137498416

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 159086949) is 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CCC[C@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CC[C@@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CC[C@H](c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.
What is the InChIKey of 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is KBOBQXYWRZBJBX-CSIFDNTISA-N. The full InChI is InChI=1S/2C24H29N5O2.2C23H27N5O2/c2*1-16-15-31-12-11-29(16)23-13-22(18-5-4-10-28(14-18)17(2)30)26-24(27-23)20-8-9-25-21-7-3-6-19(20)21;2*1-15-14-30-11-10-28(15)22-12-21(17-7-9-27(13-17)16(2)29)25-23(26-22)19-6-8-24-20-5-3-4-18(19)20/h2*3,6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-2H3;2*3-4,6,8,12,15,17H,5,7,9-11,13-14H2,1-2H3/t16-,18+;16-,18-;15-,17+;15-,17-/m1111/s1.
What are the key properties of 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 1650.06 g/mol, XLogP of 11.46, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;1-[(3R)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 159086949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).