N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide

C60H70ClFN10O7 — CID 174316951

About N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 174316951) has the molecular formula C60H70ClFN10O7 and a molecular weight of 1097.73 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 174316951
• Molecular Formula: C60H70ClFN10O7
• Molecular Weight: 1097.73 g/mol
• Exact Mass: 1096.51
• IUPAC Name: N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)CN1CCN(CCCCCCC2CCN(c4ccc(C(=O)NC5CCC(Oc6ccc(C#N)c(Cl)c6C)CC5)nn4)CC2)CC1)CC3
• InChI: InChI=1S/C60H70ClFN10O7/c1-4-60(77)44-29-49-56-42(32-72(49)58(75)43(44)34-78-59(60)76)54-46(16-15-41-35(2)45(62)30-48(66-56)53(41)54)65-52(73)33-70-27-25-69(26-28-70)22-8-6-5-7-9-37-20-23-71(24-21-37)51-19-17-47(67-68-51)57(74)64-39-11-13-40(14-12-39)79-50-18-10-38(31-63)55(61)36(50)3/h10,17-19,29-30,37,39-40,46,77H,4-9,11-16,20-28,32-34H2,1-3H3,(H,64,74)(H,65,73)/t39?,40?,46?,60-/m0/s1
• InChIKey: UDLGAARWQKCOIO-GWMPFSFRSA-N
• XLogP: 7.86
• TPSA: 208.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.73
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 174316951) is N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)CN1CCN(CCCCCCC2CCN(c4ccc(C(=O)NC5CCC(Oc6ccc(C#N)c(Cl)c6C)CC5)nn4)CC2)CC1)CC3.

What is the InChIKey of N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is UDLGAARWQKCOIO-GWMPFSFRSA-N. The full InChI is InChI=1S/C60H70ClFN10O7/c1-4-60(77)44-29-49-56-42(32-72(49)58(75)43(44)34-78-59(60)76)54-46(16-15-41-35(2)45(62)30-48(66-56)53(41)54)65-52(73)33-70-27-25-69(26-28-70)22-8-6-5-7-9-37-20-23-71(24-21-37)51-19-17-47(67-68-51)57(74)64-39-11-13-40(14-12-39)79-50-18-10-38(31-63)55(61)36(50)3/h10,17-19,29-30,37,39-40,46,77H,4-9,11-16,20-28,32-34H2,1-3H3,(H,64,74)(H,65,73)/t39?,40?,46?,60-/m0/s1.

What are the key properties of N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide?

N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 1097.73 g/mol, XLogP of 7.86, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-6-[4-[6-[4-[2-[[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]piperazin-1-yl]hexyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 174316951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).