methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile

C93H97N11O7 — CID 159158464

About methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile

methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile (PubChem CID 159158464) has the molecular formula C93H97N11O7 and a molecular weight of 1480.87 g/mol. Its IUPAC name is methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile.

Molecular Properties

• Compound Name: methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile
• PubChem CID: 159158464
• Molecular Formula: C93H97N11O7
• Molecular Weight: 1480.87 g/mol
• Exact Mass: 1479.76
• IUPAC Name: methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile
• SMILES: C.CN1CCN(c2ccc(-c3cc4c(-c5ccc(OC6CCOCC6)c(C#N)c5)cccc4[nH]3)cc2)CC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCNCC5)cc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2ccnc3c2C=C(c2ccc(CN4CCOCC4)cc2)C3)ccc1OC1CCOCC1
• InChI: InChI=1S/C31H32N4O2.C31H31N3O3.C30H30N4O2.CH4/c1-34-13-15-35(16-14-34)25-8-5-22(6-9-25)30-20-28-27(3-2-4-29(28)33-30)23-7-10-31(24(19-23)21-32)37-26-11-17-36-18-12-26;32-20-26-17-24(5-6-31(26)37-27-8-13-35-14-9-27)28-7-10-33-30-19-25(18-29(28)30)23-3-1-22(2-4-23)21-34-11-15-36-16-12-34;31-20-23-18-22(6-9-30(23)36-25-10-16-35-17-11-25)26-2-1-3-28-27(26)19-29(33-28)21-4-7-24(8-5-21)34-14-12-32-13-15-34;/h2-10,19-20,26,33H,11-18H2,1H3;1-7,10,17-18,27H,8-9,11-16,19,21H2;1-9,18-19,25,32-33H,10-17H2;1H4
• InChIKey: KKEOMTBHEQYKOQ-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 205.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.87
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile?

The IUPAC name of methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile (CID 159158464) is methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile.

What is the SMILES notation for methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile?

The canonical SMILES for methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile is C.CN1CCN(c2ccc(-c3cc4c(-c5ccc(OC6CCOCC6)c(C#N)c5)cccc4[nH]3)cc2)CC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCNCC5)cc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2ccnc3c2C=C(c2ccc(CN4CCOCC4)cc2)C3)ccc1OC1CCOCC1.

What is the InChIKey of methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile?

The InChIKey is KKEOMTBHEQYKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2.C31H31N3O3.C30H30N4O2.CH4/c1-34-13-15-35(16-14-34)25-8-5-22(6-9-25)30-20-28-27(3-2-4-29(28)33-30)23-7-10-31(24(19-23)21-32)37-26-11-17-36-18-12-26;32-20-26-17-24(5-6-31(26)37-27-8-13-35-14-9-27)28-7-10-33-30-19-25(18-29(28)30)23-3-1-22(2-4-23)21-34-11-15-36-16-12-34;31-20-23-18-22(6-9-30(23)36-25-10-16-35-17-11-25)26-2-1-3-28-27(26)19-29(33-28)21-4-7-24(8-5-21)34-14-12-32-13-15-34;/h2-10,19-20,26,33H,11-18H2,1H3;1-7,10,17-18,27H,8-9,11-16,19,21H2;1-9,18-19,25,32-33H,10-17H2;1H4.

What are the key properties of methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile?

methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile has a molecular weight of 1480.87 g/mol, XLogP of 16.77, 16 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile is sourced from PubChem (CID 159158464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).