1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

C48H59FN10O3 — CID 162726014

IUPAC1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4cnn(C5CCC(N6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4nccc34)cn2)CC1
InChIInChI=1S/C48H59FN10O3/c1-4-48(47(62)53-31(2)3)18-23-57(24-19-48)44-13-5-33(27-50-44)40-25-34(29-59-43(40)15-20-51-59)35-28-52-58(30-35)38-9-7-37(8-10-38)56-21-16-32(17-22-56)39-11-6-36(26-41(39)49)54-42-12-14-45(60)55-46(42)61/h5-6,11,13,15,20,25-32,37-38,42,54H,4,7-10,12,14,16-19,21-24H2,1-3H3,(H,53,62)(H,55,60,61)
InChIKeyUZQJQBJQFRSPDN-UHFFFAOYSA-N
MW843.07 g/mol
LogP7.50
Rot. Bonds11

About 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide

1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 162726014) has the molecular formula C48H59FN10O3 and a molecular weight of 843.07 g/mol. Its IUPAC name is 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID162726014
Molecular FormulaC48H59FN10O3
Molecular Weight843.07 g/mol
Exact Mass842.48
IUPAC Name1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4cnn(C5CCC(N6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4nccc34)cn2)CC1
InChIInChI=1S/C48H59FN10O3/c1-4-48(47(62)53-31(2)3)18-23-57(24-19-48)44-13-5-33(27-50-44)40-25-34(29-59-43(40)15-20-51-59)35-28-52-58(30-35)38-9-7-37(8-10-38)56-21-16-32(17-22-56)39-11-6-36(26-41(39)49)54-42-12-14-45(60)55-46(42)61/h5-6,11,13,15,20,25-32,37-38,42,54H,4,7-10,12,14,16-19,21-24H2,1-3H3,(H,53,62)(H,55,60,61)
InChIKeyUZQJQBJQFRSPDN-UHFFFAOYSA-N
XLogP7.50
TPSA141.79 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.07
LogP ≤ 57.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide 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

PROTAC IRAK3 degrade-1
CID 162366970
US10300056, Example 1
CID 129072547
Vustanaciclib
CID 155282305
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156013389
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-pyridin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156014376
US11071730, Example 193
CID 146640086
(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidin-1-ium-3-carboxamide
CID 117072203
2-(1-Methyl-2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[4-oxo-4-[4-[4-[(5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]cyclohexyl]piperazin-1-yl]butanoyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 162661177
2-(2,6-Dioxopiperidin-3-yl)-5-[4-[[1-[4-oxo-4-[4-[4-[(5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]cyclohexyl]piperazin-1-yl]butanoyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 162675573
3-ethynyl-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[(2R)-2-methyl-4-(5-pyrimidin-2-yl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 58946427
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 119098957
US10023570, Example 250
CID 124199393

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide (CID 162726014) is 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is CCC1(C(=O)NC(C)C)CCN(c2ccc(-c3cc(-c4cnn(C5CCC(N6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)c4)cn4nccc34)cn2)CC1.
What is the InChIKey of 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is UZQJQBJQFRSPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59FN10O3/c1-4-48(47(62)53-31(2)3)18-23-57(24-19-48)44-13-5-33(27-50-44)40-25-34(29-59-43(40)15-20-51-59)35-28-52-58(30-35)38-9-7-37(8-10-38)56-21-16-32(17-22-56)39-11-6-36(26-41(39)49)54-42-12-14-45(60)55-46(42)61/h5-6,11,13,15,20,25-32,37-38,42,54H,4,7-10,12,14,16-19,21-24H2,1-3H3,(H,53,62)(H,55,60,61).
What are the key properties of 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 843.07 g/mol, XLogP of 7.50, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 162726014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).