2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C26H29N7O3S — CID 24952699

IUPAC2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OC4CCNCC4)cc3C2=O)n1
InChIInChI=1S/C26H29N7O3S/c34-24(30-21-14-29-8-5-23(21)32-11-9-28-10-12-32)22-16-37-26(31-22)33-15-17-1-2-19(13-20(17)25(33)35)36-18-3-6-27-7-4-18/h1-2,5,8,13-14,16,18,27-28H,3-4,6-7,9-12,15H2,(H,30,34)
InChIKeyYPOSMHNDQILKHW-UHFFFAOYSA-N
MW519.63 g/mol
LogP2.49
Rot. Bonds6

About 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24952699) has the molecular formula C26H29N7O3S and a molecular weight of 519.63 g/mol. Its IUPAC name is 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24952699
Molecular FormulaC26H29N7O3S
Molecular Weight519.63 g/mol
Exact Mass519.21
IUPAC Name2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OC4CCNCC4)cc3C2=O)n1
InChIInChI=1S/C26H29N7O3S/c34-24(30-21-14-29-8-5-23(21)32-11-9-28-10-12-32)22-16-37-26(31-22)33-15-17-1-2-19(13-20(17)25(33)35)36-18-3-6-27-7-4-18/h1-2,5,8,13-14,16,18,27-28H,3-4,6-7,9-12,15H2,(H,30,34)
InChIKeyYPOSMHNDQILKHW-UHFFFAOYSA-N
XLogP2.49
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24952699) is 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OC4CCNCC4)cc3C2=O)n1.
What is the InChIKey of 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YPOSMHNDQILKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3S/c34-24(30-21-14-29-8-5-23(21)32-11-9-28-10-12-32)22-16-37-26(31-22)33-15-17-1-2-19(13-20(17)25(33)35)36-18-3-6-27-7-4-18/h1-2,5,8,13-14,16,18,27-28H,3-4,6-7,9-12,15H2,(H,30,34).
What are the key properties of 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 519.63 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24952699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).