2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide

C35H37N7O9S — CID 162669114

IUPAC2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide
SMILESCOc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(=O)NCCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C35H37N7O9S/c1-50-32-28(52-33(41-32)20-13-16-36-24(17-20)39-29(45)19-9-10-19)31(47)38-15-5-3-2-4-14-37-26(44)18-51-23-8-6-7-21-27(23)35(49)42(34(21)48)22-11-12-25(43)40-30(22)46/h6-8,13,16-17,19,22H,2-5,9-12,14-15,18H2,1H3,(H,37,44)(H,38,47)(H,36,39,45)(H,40,43,46)
InChIKeyUCQGZXBWORSTTR-UHFFFAOYSA-N
MW731.79 g/mol
LogP2.45
Rot. Bonds16

About 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide

2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide (PubChem CID 162669114) has the molecular formula C35H37N7O9S and a molecular weight of 731.79 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide
PubChem CID162669114
Molecular FormulaC35H37N7O9S
Molecular Weight731.79 g/mol
Exact Mass731.24
IUPAC Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide
SMILESCOc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(=O)NCCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C35H37N7O9S/c1-50-32-28(52-33(41-32)20-13-16-36-24(17-20)39-29(45)19-9-10-19)31(47)38-15-5-3-2-4-14-37-26(44)18-51-23-8-6-7-21-27(23)35(49)42(34(21)48)22-11-12-25(43)40-30(22)46/h6-8,13,16-17,19,22H,2-5,9-12,14-15,18H2,1H3,(H,37,44)(H,38,47)(H,36,39,45)(H,40,43,46)
InChIKeyUCQGZXBWORSTTR-UHFFFAOYSA-N
XLogP2.45
TPSA215.09 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.79
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide (CID 162669114) is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide is COc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(=O)NCCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide?
The InChIKey is UCQGZXBWORSTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O9S/c1-50-32-28(52-33(41-32)20-13-16-36-24(17-20)39-29(45)19-9-10-19)31(47)38-15-5-3-2-4-14-37-26(44)18-51-23-8-6-7-21-27(23)35(49)42(34(21)48)22-11-12-25(43)40-30(22)46/h6-8,13,16-17,19,22H,2-5,9-12,14-15,18H2,1H3,(H,37,44)(H,38,47)(H,36,39,45)(H,40,43,46).
What are the key properties of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide?
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide has a molecular weight of 731.79 g/mol, XLogP of 2.45, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162669114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).