N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C126H139N31O6 — CID 163691015

About N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163691015) has the molecular formula C126H139N31O6 and a molecular weight of 2183.71 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• PubChem CID: 163691015
• Molecular Formula: C126H139N31O6
• Molecular Weight: 2183.71 g/mol
• Exact Mass: 2182.15
• IUPAC Name: N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• SMILES: Cc1cc(-c2ccccc2)nn1-c1cc(N2CCOCC2)c2c(n1)CN(CCc1ccn(C)n1)C2.Cc1cc(-c2ccccc2)nn1-c1cc(N2CCOCC2)n2nc(OCc3ccn(C)n3)cc2n1.Cc1cccc(-c2cc(CN(C)C)n(-c3cc(N4CCOCC4)c4c(n3)C=CC4)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4c(n3)C=CC4)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4c(n3)CN(CCc3ccn(C)n3)C4)n2)c1
• InChI: InChI=1S/2C27H31N7O.C25H26N8O2.C25H29N5O.C22H22N4O/c1-20-4-3-5-21(16-20)24-8-11-34(30-24)27-17-26(33-12-14-35-15-13-33)23-18-32(19-25(23)28-27)10-7-22-6-9-31(2)29-22;1-20-16-24(21-6-4-3-5-7-21)30-34(20)27-17-26(33-12-14-35-15-13-33)23-18-32(19-25(23)28-27)11-9-22-8-10-31(2)29-22;1-18-14-21(19-6-4-3-5-7-19)28-32(18)23-16-25(31-10-12-34-13-11-31)33-22(26-23)15-24(29-33)35-17-20-8-9-30(2)27-20;1-18-6-4-7-19(14-18)23-15-20(17-28(2)3)30(27-23)25-16-24(29-10-12-31-13-11-29)21-8-5-9-22(21)26-25;1-16-4-2-5-17(14-16)19-8-9-26(24-19)22-15-21(25-10-12-27-13-11-25)18-6-3-7-20(18)23-22/h3-6,8-9,11,16-17H,7,10,12-15,18-19H2,1-2H3;3-8,10,16-17H,9,11-15,18-19H2,1-2H3;3-9,14-16H,10-13,17H2,1-2H3;4-7,9,14-16H,8,10-13,17H2,1-3H3;2-5,7-9,14-15H,6,10-13H2,1H3
• InChIKey: JSYOHNHSKPXTCJ-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 305.61 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.71
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The IUPAC name of N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163691015) is N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

What is the SMILES notation for N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The canonical SMILES for N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(-c2ccccc2)nn1-c1cc(N2CCOCC2)c2c(n1)CN(CCc1ccn(C)n1)C2.Cc1cc(-c2ccccc2)nn1-c1cc(N2CCOCC2)n2nc(OCc3ccn(C)n3)cc2n1.Cc1cccc(-c2cc(CN(C)C)n(-c3cc(N4CCOCC4)c4c(n3)C=CC4)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4c(n3)C=CC4)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4c(n3)CN(CCc3ccn(C)n3)C4)n2)c1.

What is the InChIKey of N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The InChIKey is JSYOHNHSKPXTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31N7O.C25H26N8O2.C25H29N5O.C22H22N4O/c1-20-4-3-5-21(16-20)24-8-11-34(30-24)27-17-26(33-12-14-35-15-13-33)23-18-32(19-25(23)28-27)10-7-22-6-9-31(2)29-22;1-20-16-24(21-6-4-3-5-7-21)30-34(20)27-17-26(33-12-14-35-15-13-33)23-18-32(19-25(23)28-27)11-9-22-8-10-31(2)29-22;1-18-14-21(19-6-4-3-5-7-19)28-32(18)23-16-25(31-10-12-34-13-11-31)33-22(26-23)15-24(29-33)35-17-20-8-9-30(2)27-20;1-18-6-4-7-19(14-18)23-15-20(17-28(2)3)30(27-23)25-16-24(29-10-12-31-13-11-29)21-8-5-9-22(21)26-25;1-16-4-2-5-17(14-16)19-8-9-26(24-19)22-15-21(25-10-12-27-13-11-25)18-6-3-7-20(18)23-22/h3-6,8-9,11,16-17H,7,10,12-15,18-19H2,1-2H3;3-8,10,16-17H,9,11-15,18-19H2,1-2H3;3-9,14-16H,10-13,17H2,1-2H3;4-7,9,14-16H,8,10-13,17H2,1-3H3;2-5,7-9,14-15H,6,10-13H2,1H3.

What are the key properties of N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 2183.71 g/mol, XLogP of 17.14, 26 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[3-(3-methylphenyl)-1-(4-morpholin-4-yl-5H-cyclopenta[b]pyridin-2-yl)pyrazol-5-yl]methanamine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine;4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine;4-[5-(5-methyl-3-phenylpyrazol-1-yl)-2-[(1-methylpyrazol-3-yl)methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163691015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).