3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione

C60H69FN8O4 — CID 177354842

IUPAC3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione
SMILESCNc1ccc(-c2ccnc3cc(C)c(C(C)N4CC=C(c5c(C)cc(C(=O)CC6CCC(CN7CCN(Cc8ccc9c(c8)C8(CC8)C(=O)N9C8CCC(=O)NC8=O)C[C@@H]7C)CC6)cc5F)CC4)cc23)cn1
InChIInChI=1S/C60H69FN8O4/c1-36-27-51-48(46(16-21-63-51)44-11-14-55(62-5)64-32-44)31-47(36)39(4)67-22-17-43(18-23-67)57-37(2)26-45(30-50(57)61)54(70)29-40-6-8-41(9-7-40)35-68-25-24-66(33-38(68)3)34-42-10-12-52-49(28-42)60(19-20-60)59(73)69(52)53-13-15-56(71)65-58(53)72/h10-12,14,16-17,21,26-28,30-32,38-41,53H,6-9,13,15,18-20,22-25,29,33-35H2,1-5H3,(H,62,64)(H,65,71,72)/t38-,39?,40?,41?,53?/m0/s1
InChIKeyPPQGCUVGQGACAP-OAFCZIOQSA-N
MW985.26 g/mol
LogP9.71
Rot. Bonds13

About 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione

3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione (PubChem CID 177354842) has the molecular formula C60H69FN8O4 and a molecular weight of 985.26 g/mol. Its IUPAC name is 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione
PubChem CID177354842
Molecular FormulaC60H69FN8O4
Molecular Weight985.26 g/mol
Exact Mass984.54
IUPAC Name3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione
SMILESCNc1ccc(-c2ccnc3cc(C)c(C(C)N4CC=C(c5c(C)cc(C(=O)CC6CCC(CN7CCN(Cc8ccc9c(c8)C8(CC8)C(=O)N9C8CCC(=O)NC8=O)C[C@@H]7C)CC6)cc5F)CC4)cc23)cn1
InChIInChI=1S/C60H69FN8O4/c1-36-27-51-48(46(16-21-63-51)44-11-14-55(62-5)64-32-44)31-47(36)39(4)67-22-17-43(18-23-67)57-37(2)26-45(30-50(57)61)54(70)29-40-6-8-41(9-7-40)35-68-25-24-66(33-38(68)3)34-42-10-12-52-49(28-42)60(19-20-60)59(73)69(52)53-13-15-56(71)65-58(53)72/h10-12,14,16-17,21,26-28,30-32,38-41,53H,6-9,13,15,18-20,22-25,29,33-35H2,1-5H3,(H,62,64)(H,65,71,72)/t38-,39?,40?,41?,53?/m0/s1
InChIKeyPPQGCUVGQGACAP-OAFCZIOQSA-N
XLogP9.71
TPSA131.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.26
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione (CID 177354842) is 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione is CNc1ccc(-c2ccnc3cc(C)c(C(C)N4CC=C(c5c(C)cc(C(=O)CC6CCC(CN7CCN(Cc8ccc9c(c8)C8(CC8)C(=O)N9C8CCC(=O)NC8=O)C[C@@H]7C)CC6)cc5F)CC4)cc23)cn1.
What is the InChIKey of 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?
The InChIKey is PPQGCUVGQGACAP-OAFCZIOQSA-N. The full InChI is InChI=1S/C60H69FN8O4/c1-36-27-51-48(46(16-21-63-51)44-11-14-55(62-5)64-32-44)31-47(36)39(4)67-22-17-43(18-23-67)57-37(2)26-45(30-50(57)61)54(70)29-40-6-8-41(9-7-40)35-68-25-24-66(33-38(68)3)34-42-10-12-52-49(28-42)60(19-20-60)59(73)69(52)53-13-15-56(71)65-58(53)72/h10-12,14,16-17,21,26-28,30-32,38-41,53H,6-9,13,15,18-20,22-25,29,33-35H2,1-5H3,(H,62,64)(H,65,71,72)/t38-,39?,40?,41?,53?/m0/s1.
What are the key properties of 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?
3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione has a molecular weight of 985.26 g/mol, XLogP of 9.71, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5'-[[(3S)-4-[[4-[2-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxoethyl]cyclohexyl]methyl]-3-methylpiperazin-1-yl]methyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione is sourced from PubChem (CID 177354842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).